3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

C162H202Cl8N38O5S — CID 159147905

IUPAC3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(=O)Nc1nc(-c2ccccc2Cl)c(C(C)C)[nH]1.CC(C)c1[nH]c(N)nc1-c1ccccc1Cl.CC(C)c1ccc(N)nc1.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc(N)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1n[nH]c(=O)n1C(C)C.CC(C)c1nc(N)sc1-c1ccccc1Cl.CC(C)c1ncoc1-c1ccccc1Cl.CC(C)c1nncn1-c1ccc(C(=O)N2CCN(C)CC2)cc1Cl.CC(C)c1nncn1-c1ccccc1Cl.CNC(=O)c1ccc(-n2cnnc2C(C)C)c(Cl)c1.Cc1nnc(C(C)C)n1-c1ccccc1Cl
InChIInChI=1S/C17H22ClN5O.C14H16ClN3O.C13H15ClN4O.2C12H14ClN3.C12H13ClN2S.C12H12ClNO.C11H12ClN3.2C10H12N2.C8H15N3O.C8H12N2.2C8H11N.C7H11N3/c1-12(2)16-20-19-11-23(16)15-5-4-13(10-14(15)18)17(24)22-8-6-21(3)7-9-22;1-8(2)12-13(10-6-4-5-7-11(10)15)18-14(17-12)16-9(3)19;1-8(2)12-17-16-7-18(12)11-5-4-9(6-10(11)14)13(19)15-3;1-8(2)12-15-14-9(3)16(12)11-7-5-4-6-10(11)13;2*1-7(2)10-11(16-12(14)15-10)8-5-3-4-6-9(8)13;1-8(2)11-12(15-7-14-11)9-5-3-4-6-10(9)13;1-8(2)11-14-13-7-15(11)10-6-4-3-5-9(10)12;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-5(2)7-9-10-8(12)11(7)6(3)4;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-9-7(8)10-4-6/h4-5,10-12H,6-9H2,1-3H3;4-8H,1-3H3,(H2,16,17,18,19);4-8H,1-3H3,(H,15,19);4-8H,1-3H3;3-7H,1-2H3,(H3,14,15,16);3-7H,1-2H3,(H2,14,15);2*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);5-6H,1-4H3,(H,10,12);3-6H,1-2H3,(H2,9,10);2*3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10)
InChIKeyKIXNDHVQCPMZSC-UHFFFAOYSA-N
MW3077.35 g/mol
LogP40.79
Rot. Bonds27

About 3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine

3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 159147905) has the molecular formula C162H202Cl8N38O5S and a molecular weight of 3077.35 g/mol. Its IUPAC name is 3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
PubChem CID159147905
Molecular FormulaC162H202Cl8N38O5S
Molecular Weight3077.35 g/mol
Exact Mass3071.39
IUPAC Name3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
SMILESCC(=O)Nc1nc(-c2ccccc2Cl)c(C(C)C)[nH]1.CC(C)c1[nH]c(N)nc1-c1ccccc1Cl.CC(C)c1ccc(N)nc1.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc(N)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1n[nH]c(=O)n1C(C)C.CC(C)c1nc(N)sc1-c1ccccc1Cl.CC(C)c1ncoc1-c1ccccc1Cl.CC(C)c1nncn1-c1ccc(C(=O)N2CCN(C)CC2)cc1Cl.CC(C)c1nncn1-c1ccccc1Cl.CNC(=O)c1ccc(-n2cnnc2C(C)C)c(Cl)c1.Cc1nnc(C(C)C)n1-c1ccccc1Cl
InChIInChI=1S/C17H22ClN5O.C14H16ClN3O.C13H15ClN4O.2C12H14ClN3.C12H13ClN2S.C12H12ClNO.C11H12ClN3.2C10H12N2.C8H15N3O.C8H12N2.2C8H11N.C7H11N3/c1-12(2)16-20-19-11-23(16)15-5-4-13(10-14(15)18)17(24)22-8-6-21(3)7-9-22;1-8(2)12-13(10-6-4-5-7-11(10)15)18-14(17-12)16-9(3)19;1-8(2)12-17-16-7-18(12)11-5-4-9(6-10(11)14)13(19)15-3;1-8(2)12-15-14-9(3)16(12)11-7-5-4-6-10(11)13;2*1-7(2)10-11(16-12(14)15-10)8-5-3-4-6-9(8)13;1-8(2)11-12(15-7-14-11)9-5-3-4-6-10(9)13;1-8(2)11-14-13-7-15(11)10-6-4-3-5-9(10)12;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-5(2)7-9-10-8(12)11(7)6(3)4;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-9-7(8)10-4-6/h4-5,10-12H,6-9H2,1-3H3;4-8H,1-3H3,(H2,16,17,18,19);4-8H,1-3H3,(H,15,19);4-8H,1-3H3;3-7H,1-2H3,(H3,14,15,16);3-7H,1-2H3,(H2,14,15);2*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);5-6H,1-4H3,(H,10,12);3-6H,1-2H3,(H2,9,10);2*3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10)
InChIKeyKIXNDHVQCPMZSC-UHFFFAOYSA-N
XLogP40.79
TPSA577.44 Ų
H-Bond Donors11
H-Bond Acceptors36
Rotatable Bonds27
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003077.35
LogP ≤ 540.79
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1036

Analyze 3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;1,5-di(propan-2-yl)-1,2,4-triazol-3-amine;1,5-di(propan-2-yl)-1,2,4-triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-(1-methoxypropan-2-yl)-3-propan-2-yl-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 157568311
3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;bis(5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine);4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1,2,4-triazole;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-(1-methylpiperidin-4-yl)-3-propan-2-yl-1H-1,2,4-triazol-5-one;3-propan-2-yl-2,5-dihydro-1H-1,2,4-triazin-6-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 157600950
3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;1,5-di(propan-2-yl)-1,2,4-triazol-3-amine;1,5-di(propan-2-yl)-1,2,4-triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-(1-ethoxyethyl)-3-propan-2-yl-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 157928600
3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3-methyl-4,5-di(propan-2-yl)-1,2,4-triazole;3-propan-2-yl-2,5-dihydro-1H-1,2,4-triazin-6-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 158465045
3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 158776094
7-tert-butyl-1,3-benzoxazole;1-tert-butyl-5-chloropyridin-2-one;2-tert-butyl-5-chlorothiophene;2-tert-butylcyclohexa-2,4-dien-1-one;5-tert-butylisoquinoline;4-tert-butyl-5-methyl-1H-indazole;4-tert-butyl-5-methylpyrimidin-2-amine;5-tert-butyl-4-methylpyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)but-3-enamide;2-tert-butyl-5-methylthiophene;4-tert-butyl-1H-pyrazole;3-tert-butylpyridine;4-tert-butylpyridine;8-tert-butylquinazoline;4-tert-butylquinoline;5-tert-butylquinoline;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene
CID 159076998
3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;1,5-di(propan-2-yl)-1,2,4-triazol-3-amine;1,5-di(propan-2-yl)-1,2,4-triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-(1-ethoxyethyl)-3-propan-2-yl-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 159349689
CID 159377565
CID 159377565
6-(7-chloro-3H-benzimidazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzothiazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(4-chloro-1,3-benzoxazol-6-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;6-(7-chloro-1H-indazol-5-yl)-7-(1-methylpyrazol-3-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(1-oxo-2H-isoquinolin-6-yl)-1H-1,8-naphthyridin-4-one;7-(1-methylpyrazol-3-yl)-6-(2-oxo-1H-quinolin-6-yl)-1H-1,8-naphthyridin-4-one
CID 159436114
7-tert-butyl-7aH-triazolo[4,5-b]pyridine;4-tert-butyl-5H-cyclopenta[b]pyridine;7-tert-butyl-2,3-dihydrofuro[3,2-b]pyridine;4-tert-butylfuro[2,3-b]pyridine;7-tert-butylfuro[3,2-b]pyridine;5-tert-butylimidazo[1,2-a]pyrimidine;8-tert-butylimidazo[1,2-b]pyridazine;4-tert-butyl-1H-indole;7-tert-butylpyrazolo[1,5-a]pyrimidine;bis(4-tert-butylpyrazolo[1,5-b]pyridazine);4-tert-butylpyrrolo[1,2-b]pyridazine;4-tert-butyl-5H-pyrrolo[3,4-b]pyridine;bis(7-tert-butyl-[1,2,4]triazolo[1,5-a]pyrimidine);8-tert-butyl-[1,2,4]triazolo[1,5-b]pyridazine;8-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine;7-chloro-5-propan-2-ylimidazo[1,2-a]pyrimidine;4-propan-2-ylimidazo[1,5-b]pyridazine;7-propan-2-ylpyrazolo[1,5-a]pyrimidine;7-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;5-propan-2-yl-[1,2,4]triazolo[4,3-a]pyrimidine
CID 159485445
3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;1,5-di(propan-2-yl)-1,2,4-triazol-3-amine;1,5-di(propan-2-yl)-1,2,4-triazole;3,4-di(propan-2-yl)-1,2,4-triazole;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-(1-methoxypropan-2-yl)-3-propan-2-yl-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-pyrazolo[5,4-c]pyridine;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine
CID 159685868
5-chloro-1,3-dimethyl-4-propan-2-ylpyrazole;bis(1-chloro-2-propan-2-ylbenzene);2-chloro-5-propan-2-ylpyridine;cumene;3,5-dimethyl-1-phenyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;methane;1-methyl-3-phenyl-5-propan-2-ylpyrazole;2-methyl-4-propan-2-ylpyridine;1-phenyl-5-propan-2-ylpyrazole;bis(2-piperidin-1-yl-5-propan-2-ylpyridine);2-propan-2-ylfuran;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole
CID 159871920

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine (CID 159147905) is 3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is CC(=O)Nc1nc(-c2ccccc2Cl)c(C(C)C)[nH]1.CC(C)c1[nH]c(N)nc1-c1ccccc1Cl.CC(C)c1ccc(N)nc1.CC(C)c1cccc2[nH]ncc12.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cnc(N)nc1.CC(C)c1cnc2[nH]ccc2c1.CC(C)c1n[nH]c(=O)n1C(C)C.CC(C)c1nc(N)sc1-c1ccccc1Cl.CC(C)c1ncoc1-c1ccccc1Cl.CC(C)c1nncn1-c1ccc(C(=O)N2CCN(C)CC2)cc1Cl.CC(C)c1nncn1-c1ccccc1Cl.CNC(=O)c1ccc(-n2cnnc2C(C)C)c(Cl)c1.Cc1nnc(C(C)C)n1-c1ccccc1Cl.
What is the InChIKey of 3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is KIXNDHVQCPMZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O.C14H16ClN3O.C13H15ClN4O.2C12H14ClN3.C12H13ClN2S.C12H12ClNO.C11H12ClN3.2C10H12N2.C8H15N3O.C8H12N2.2C8H11N.C7H11N3/c1-12(2)16-20-19-11-23(16)15-5-4-13(10-14(15)18)17(24)22-8-6-21(3)7-9-22;1-8(2)12-13(10-6-4-5-7-11(10)15)18-14(17-12)16-9(3)19;1-8(2)12-17-16-7-18(12)11-5-4-9(6-10(11)14)13(19)15-3;1-8(2)12-15-14-9(3)16(12)11-7-5-4-6-10(11)13;2*1-7(2)10-11(16-12(14)15-10)8-5-3-4-6-9(8)13;1-8(2)11-12(15-7-14-11)9-5-3-4-6-10(9)13;1-8(2)11-14-13-7-15(11)10-6-4-3-5-9(10)12;1-7(2)9-5-8-3-4-11-10(8)12-6-9;1-7(2)8-4-3-5-10-9(8)6-11-12-10;1-5(2)7-9-10-8(12)11(7)6(3)4;1-6(2)7-3-4-8(9)10-5-7;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-5(2)6-3-9-7(8)10-4-6/h4-5,10-12H,6-9H2,1-3H3;4-8H,1-3H3,(H2,16,17,18,19);4-8H,1-3H3,(H,15,19);4-8H,1-3H3;3-7H,1-2H3,(H3,14,15,16);3-7H,1-2H3,(H2,14,15);2*3-8H,1-2H3;2*3-7H,1-2H3,(H,11,12);5-6H,1-4H3,(H,10,12);3-6H,1-2H3,(H2,9,10);2*3-7H,1-2H3;3-5H,1-2H3,(H2,8,9,10).
What are the key properties of 3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine?
3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 3077.35 g/mol, XLogP of 40.79, 27 rotatable bonds, 11 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-4-(3-propan-2-yl-1,2,4-triazol-4-yl)benzamide;4-(2-chlorophenyl)-3-methyl-5-propan-2-yl-1,2,4-triazole;4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-amine;N-[4-(2-chlorophenyl)-5-propan-2-yl-1H-imidazol-2-yl]acetamide;5-(2-chlorophenyl)-4-propan-2-yl-1,3-oxazole;5-(2-chlorophenyl)-4-propan-2-yl-1,3-thiazol-2-amine;4-(2-chlorophenyl)-3-propan-2-yl-1,2,4-triazole;[3-chloro-4-(3-propan-2-yl-1,2,4-triazol-4-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;3,4-di(propan-2-yl)-1H-1,2,4-triazol-5-one;4-propan-2-yl-1H-indazole;5-propan-2-ylpyridin-2-amine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidin-2-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 159147905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).