tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide

C178H224N42O24 — CID 167657307

IUPACtris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)cc[nH]1.CC(C)NC(=O)c1cc2ccccc2[nH]1.CC(C)NC(=O)c1cc2ccccc2n1C.CC(C)NC(=O)c1cc2ccccc2o1.CC(C)NC(=O)c1cccc(=O)[nH]1.CC(C)NC(=O)c1cccc(=O)[nH]1.CC(C)NC(=O)c1cnc2c(n1)OCO2.CC(C)NC(=O)c1cnc2ccccc2n1.COc1cccc2[nH]c(C(=O)NC(C)C)cc12.Cc1cc(C(=O)NC(C)C)no1.Cc1ccc2[nH]c(N)nc2c1C(=O)NC(C)C.Cc1ccc2[nH]c(N)nc2c1C(=O)NC(C)C.Cc1ccc2[nH]c(N)nc2c1C(=O)NC(C)C.Cc1ccc2[nH]ncc2c1C(=O)NC(C)C.Cc1ccc2[nH]ncc2c1C(=O)NC(C)C.Cc1ccc2[nH]ncc2c1C(=O)NC(C)C
InChIInChI=1S/C13H16N2O2.C13H16N2O.3C12H16N4O.3C12H15N3O.C12H13N3O.C12H14N2O.C12H13NO2.C9H11N3O3.3C9H12N2O2.C8H12N2O2/c1-8(2)14-13(16)11-7-9-10(15-11)5-4-6-12(9)17-3;1-9(2)14-13(16)12-8-10-6-4-5-7-11(10)15(12)3;3*1-6(2)14-11(17)9-7(3)4-5-8-10(9)16-12(13)15-8;3*1-7(2)14-12(16)11-8(3)4-5-10-9(11)6-13-15-10;1-8(2)14-12(16)11-7-13-9-5-3-4-6-10(9)15-11;1-8(2)13-12(15)11-7-9-5-3-4-6-10(9)14-11;1-8(2)13-12(14)11-7-9-5-3-4-6-10(9)15-11;1-5(2)11-7(13)6-3-10-8-9(12-6)15-4-14-8;1-6(2)11-9(13)8-5-7(12)3-4-10-8;2*1-6(2)10-9(13)7-4-3-5-8(12)11-7;1-5(2)9-8(11)7-4-6(3)12-10-7/h4-8,15H,1-3H3,(H,14,16);4-9H,1-3H3,(H,14,16);3*4-6H,1-3H3,(H,14,17)(H3,13,15,16);3*4-7H,1-3H3,(H,13,15)(H,14,16);3-8H,1-2H3,(H,14,16);3-8,14H,1-2H3,(H,13,15);3-8H,1-2H3,(H,13,14);3,5H,4H2,1-2H3,(H,11,13);3-6H,1-2H3,(H,10,12)(H,11,13);2*3-6H,1-2H3,(H,10,13)(H,11,12);4-5H,1-3H3,(H,9,11)
InChIKeyRLDOADLPZOSDKF-UHFFFAOYSA-N
MW3336.02 g/mol
LogP25.08
Rot. Bonds33

About tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide

tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide (PubChem CID 167657307) has the molecular formula C178H224N42O24 and a molecular weight of 3336.02 g/mol. Its IUPAC name is tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide.

Molecular Properties

Compound Nametris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide
PubChem CID167657307
Molecular FormulaC178H224N42O24
Molecular Weight3336.02 g/mol
Exact Mass3333.76
IUPAC Nametris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide
SMILESCC(C)NC(=O)c1cc(=O)cc[nH]1.CC(C)NC(=O)c1cc2ccccc2[nH]1.CC(C)NC(=O)c1cc2ccccc2n1C.CC(C)NC(=O)c1cc2ccccc2o1.CC(C)NC(=O)c1cccc(=O)[nH]1.CC(C)NC(=O)c1cccc(=O)[nH]1.CC(C)NC(=O)c1cnc2c(n1)OCO2.CC(C)NC(=O)c1cnc2ccccc2n1.COc1cccc2[nH]c(C(=O)NC(C)C)cc12.Cc1cc(C(=O)NC(C)C)no1.Cc1ccc2[nH]c(N)nc2c1C(=O)NC(C)C.Cc1ccc2[nH]c(N)nc2c1C(=O)NC(C)C.Cc1ccc2[nH]c(N)nc2c1C(=O)NC(C)C.Cc1ccc2[nH]ncc2c1C(=O)NC(C)C.Cc1ccc2[nH]ncc2c1C(=O)NC(C)C.Cc1ccc2[nH]ncc2c1C(=O)NC(C)C
InChIInChI=1S/C13H16N2O2.C13H16N2O.3C12H16N4O.3C12H15N3O.C12H13N3O.C12H14N2O.C12H13NO2.C9H11N3O3.3C9H12N2O2.C8H12N2O2/c1-8(2)14-13(16)11-7-9-10(15-11)5-4-6-12(9)17-3;1-9(2)14-13(16)12-8-10-6-4-5-7-11(10)15(12)3;3*1-6(2)14-11(17)9-7(3)4-5-8-10(9)16-12(13)15-8;3*1-7(2)14-12(16)11-8(3)4-5-10-9(11)6-13-15-10;1-8(2)14-12(16)11-7-13-9-5-3-4-6-10(9)15-11;1-8(2)13-12(15)11-7-9-5-3-4-6-10(9)14-11;1-8(2)13-12(14)11-7-9-5-3-4-6-10(9)15-11;1-5(2)11-7(13)6-3-10-8-9(12-6)15-4-14-8;1-6(2)11-9(13)8-5-7(12)3-4-10-8;2*1-6(2)10-9(13)7-4-3-5-8(12)11-7;1-5(2)9-8(11)7-4-6(3)12-10-7/h4-8,15H,1-3H3,(H,14,16);4-9H,1-3H3,(H,14,16);3*4-6H,1-3H3,(H,14,17)(H3,13,15,16);3*4-7H,1-3H3,(H,13,15)(H,14,16);3-8H,1-2H3,(H,14,16);3-8,14H,1-2H3,(H,13,15);3-8H,1-2H3,(H,13,14);3,5H,4H2,1-2H3,(H,11,13);3-6H,1-2H3,(H,10,12)(H,11,13);2*3-6H,1-2H3,(H,10,13)(H,11,12);4-5H,1-3H3,(H,9,11)
InChIKeyRLDOADLPZOSDKF-UHFFFAOYSA-N
XLogP25.08
TPSA969.25 Ų
H-Bond Donors30
H-Bond Acceptors39
Rotatable Bonds33
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003336.02
LogP ≤ 525.08
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1039

Analyze tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide with MolForge

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Related Compounds

CID 157931809
CID 157931809
4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide
CID 160792937
4-(benzylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;4-(diethylamino)-N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(dimethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-4-(ethylamino)benzamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,2-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1,3-oxazole-5-carboxamide;N-(2,2-difluoro-5H-[1,3]dioxolo[4,5-f]benzimidazol-6-yl)-1H-pyrazole-5-carboxamide
CID 161210037
N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-methoxy-5-morpholin-4-ylbenzamide;(2S)-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(methylamino)-2-phenylacetamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-5-(piperidin-1-ylmethyl)furan-2-carboxamide;5-ethyl-2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
CID 161263655
3-chloro-N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]benzamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-benzofuran-5-carboxamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,2-difluoro-1,3-benzodioxole-5-carboxamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-ethyl-1,3-benzoxazole-5-carboxamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-3H-benzimidazole-5-carboxamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methyl-1-benzofuran-5-carboxamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-5-carboxamide;N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]quinoxaline-6-carboxamide
CID 161277573
6-(2,3-dihydro-1H-isoindol-1-yl)-4-(1H-indazol-3-yl)-5-(1H-indol-2-yl)-7-[3-[3-[4-[2-(3-pyridazin-3-ylpyrazin-2-yl)piperazin-1-yl]-1,3-benzodioxol-2-yl]-2,3-dihydro-1-benzofuran-2-yl]-1-benzofuran-2-yl]-1H-benzimidazole
CID 91804397
2-[2-(1H-imidazol-2-yl)-1-isoquinolin-1-yl-6-(1,2-oxazol-3-yl)-7-(1,3-oxazol-2-yl)-4-(1H-pyrazol-3-yl)benzimidazol-5-yl]-1,3-benzoxazole
CID 141151092
3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-methylpyrazole-5-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-2-(4-fluorophenyl)-5-methyltriazole-4-carboxamide;2-methyl-2-phenyl-N-[5-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]propanamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-oxo-3H-phthalazine-1-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 157067008
2-anilino-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]benzamide;3-tert-butyl-N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1-phenylpyrazole-5-carboxamide;2-tert-butyl-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazole-3-carboxamide;N-[5-(5,6-dimethoxy-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,2,3,4-tetrahydroisoquinoline-7-carboxamide
CID 157450591
3,5-dimethyl-2H-indazole;5,6-dimethyl-1H-indazole;5,7-dimethyl-1H-indazole;5-methyl-1,3-benzodioxole;5-methyl-2H-benzotriazole;5-methyl-1,2-benzoxazole;5-methyl-1,3-dihydrobenzimidazol-2-one;5-methyl-1,3-dihydroindol-2-one;3-methyl-2H-indazole;5-methyl-1H-indazole;6-methyl-1H-indole;4-methylisoquinoline;5-(3-methylphenyl)-1,3-oxazole;5-(3-methylphenyl)-1H-pyrazole;2-(3-methylphenyl)pyridine;3-(3-methylphenyl)pyridine;5-(3-methylphenyl)-2H-tetrazole;toluene
CID 158032179
4-amino-2-methoxy-5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methoxy-4,6-dimethyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-3-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1-benzofuran-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]quinoxaline-2-carboxamide
CID 158121566
CID 158517530
CID 158517530

Frequently Asked Questions

What is the IUPAC name of tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide?
The IUPAC name of tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide (CID 167657307) is tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide.
What is the SMILES notation for tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide?
The canonical SMILES for tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide is CC(C)NC(=O)c1cc(=O)cc[nH]1.CC(C)NC(=O)c1cc2ccccc2[nH]1.CC(C)NC(=O)c1cc2ccccc2n1C.CC(C)NC(=O)c1cc2ccccc2o1.CC(C)NC(=O)c1cccc(=O)[nH]1.CC(C)NC(=O)c1cccc(=O)[nH]1.CC(C)NC(=O)c1cnc2c(n1)OCO2.CC(C)NC(=O)c1cnc2ccccc2n1.COc1cccc2[nH]c(C(=O)NC(C)C)cc12.Cc1cc(C(=O)NC(C)C)no1.Cc1ccc2[nH]c(N)nc2c1C(=O)NC(C)C.Cc1ccc2[nH]c(N)nc2c1C(=O)NC(C)C.Cc1ccc2[nH]c(N)nc2c1C(=O)NC(C)C.Cc1ccc2[nH]ncc2c1C(=O)NC(C)C.Cc1ccc2[nH]ncc2c1C(=O)NC(C)C.Cc1ccc2[nH]ncc2c1C(=O)NC(C)C.
What is the InChIKey of tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide?
The InChIKey is RLDOADLPZOSDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2.C13H16N2O.3C12H16N4O.3C12H15N3O.C12H13N3O.C12H14N2O.C12H13NO2.C9H11N3O3.3C9H12N2O2.C8H12N2O2/c1-8(2)14-13(16)11-7-9-10(15-11)5-4-6-12(9)17-3;1-9(2)14-13(16)12-8-10-6-4-5-7-11(10)15(12)3;3*1-6(2)14-11(17)9-7(3)4-5-8-10(9)16-12(13)15-8;3*1-7(2)14-12(16)11-8(3)4-5-10-9(11)6-13-15-10;1-8(2)14-12(16)11-7-13-9-5-3-4-6-10(9)15-11;1-8(2)13-12(15)11-7-9-5-3-4-6-10(9)14-11;1-8(2)13-12(14)11-7-9-5-3-4-6-10(9)15-11;1-5(2)11-7(13)6-3-10-8-9(12-6)15-4-14-8;1-6(2)11-9(13)8-5-7(12)3-4-10-8;2*1-6(2)10-9(13)7-4-3-5-8(12)11-7;1-5(2)9-8(11)7-4-6(3)12-10-7/h4-8,15H,1-3H3,(H,14,16);4-9H,1-3H3,(H,14,16);3*4-6H,1-3H3,(H,14,17)(H3,13,15,16);3*4-7H,1-3H3,(H,13,15)(H,14,16);3-8H,1-2H3,(H,14,16);3-8,14H,1-2H3,(H,13,15);3-8H,1-2H3,(H,13,14);3,5H,4H2,1-2H3,(H,11,13);3-6H,1-2H3,(H,10,12)(H,11,13);2*3-6H,1-2H3,(H,10,13)(H,11,12);4-5H,1-3H3,(H,9,11).
What are the key properties of tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide?
tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide has a molecular weight of 3336.02 g/mol, XLogP of 25.08, 33 rotatable bonds, 30 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for tris(2-amino-5-methyl-N-propan-2-yl-1H-benzimidazole-4-carboxamide);4-methoxy-N-propan-2-yl-1H-indole-2-carboxamide;tris(5-methyl-N-propan-2-yl-1H-indazole-4-carboxamide);1-methyl-N-propan-2-ylindole-2-carboxamide;5-methyl-N-propan-2-yl-1,2-oxazole-3-carboxamide;4-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide;bis(6-oxo-N-propan-2-yl-1H-pyridine-2-carboxamide);N-propan-2-yl-1-benzofuran-2-carboxamide;N-propan-2-yl-[1,3]dioxolo[4,5-b]pyrazine-5-carboxamide;N-propan-2-yl-1H-indole-2-carboxamide;N-propan-2-ylquinoxaline-2-carboxamide is sourced from PubChem (CID 167657307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).