4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine

C97H97Cl6N45 — CID 167651725

IUPAC4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCC(C)n1nccc1-c1nc(Nc2ccc3[nH]ncc3c2Cl)n(C)n1.CN1CCN(Cc2ccc(-c3nc(Nc4ccc5[nH]ncc5c4Cl)n(C)n3)cc2)CC1.Cc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)n(C)n1.Cc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cn1.Cn1nc(-c2cn[nH]c2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(C2=CCCC2)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C22H25ClN8.C16H17ClN8.C16H14ClN7.C15H15ClN8.C15H15ClN6.C13H11ClN8/c1-29-9-11-31(12-10-29)14-15-3-5-16(6-4-15)21-26-22(30(2)28-21)25-19-8-7-18-17(20(19)23)13-24-27-18;1-9(2)25-13(6-7-19-25)15-21-16(24(3)23-15)20-12-5-4-11-10(14(12)17)8-18-22-11;1-9-3-4-10(7-18-9)15-21-16(24(2)23-15)20-13-6-5-12-11(14(13)17)8-19-22-12;1-8-6-12(23(2)21-8)14-19-15(24(3)22-14)18-11-5-4-10-9(13(11)16)7-17-20-10;1-22-15(19-14(21-22)9-4-2-3-5-9)18-12-7-6-11-10(13(12)16)8-17-20-11;1-22-13(19-12(21-22)7-4-15-16-5-7)18-10-3-2-9-8(11(10)14)6-17-20-9/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)(H,25,26,28);4-9H,1-3H3,(H,18,22)(H,20,21,23);3-8H,1-2H3,(H,19,22)(H,20,21,23);4-7H,1-3H3,(H,17,20)(H,18,19,22);4,6-8H,2-3,5H2,1H3,(H,17,20)(H,18,19,21);2-6H,1H3,(H,15,16)(H,17,20)(H,18,19,21)
InChIKeyQRBBYLZAMMJWIB-UHFFFAOYSA-N
MW2105.88 g/mol
LogP19.43
Rot. Bonds21

About 4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine

4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine (PubChem CID 167651725) has the molecular formula C97H97Cl6N45 and a molecular weight of 2105.88 g/mol. Its IUPAC name is 4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine.

Molecular Properties

Compound Name4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine
PubChem CID167651725
Molecular FormulaC97H97Cl6N45
Molecular Weight2105.88 g/mol
Exact Mass2101.71
IUPAC Name4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine
SMILESCC(C)n1nccc1-c1nc(Nc2ccc3[nH]ncc3c2Cl)n(C)n1.CN1CCN(Cc2ccc(-c3nc(Nc4ccc5[nH]ncc5c4Cl)n(C)n3)cc2)CC1.Cc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)n(C)n1.Cc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cn1.Cn1nc(-c2cn[nH]c2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(C2=CCCC2)nc1Nc1ccc2[nH]ncc2c1Cl
InChIInChI=1S/C22H25ClN8.C16H17ClN8.C16H14ClN7.C15H15ClN8.C15H15ClN6.C13H11ClN8/c1-29-9-11-31(12-10-29)14-15-3-5-16(6-4-15)21-26-22(30(2)28-21)25-19-8-7-18-17(20(19)23)13-24-27-18;1-9(2)25-13(6-7-19-25)15-21-16(24(3)23-15)20-12-5-4-11-10(14(12)17)8-18-22-11;1-9-3-4-10(7-18-9)15-21-16(24(2)23-15)20-13-6-5-12-11(14(13)17)8-19-22-12;1-8-6-12(23(2)21-8)14-19-15(24(3)22-14)18-11-5-4-10-9(13(11)16)7-17-20-10;1-22-15(19-14(21-22)9-4-2-3-5-9)18-12-7-6-11-10(13(12)16)8-17-20-11;1-22-13(19-12(21-22)7-4-15-16-5-7)18-10-3-2-9-8(11(10)14)6-17-20-9/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)(H,25,26,28);4-9H,1-3H3,(H,18,22)(H,20,21,23);3-8H,1-2H3,(H,19,22)(H,20,21,23);4-7H,1-3H3,(H,17,20)(H,18,19,22);4,6-8H,2-3,5H2,1H3,(H,17,20)(H,18,19,21);2-6H,1H3,(H,15,16)(H,17,20)(H,18,19,21)
InChIKeyQRBBYLZAMMJWIB-UHFFFAOYSA-N
XLogP19.43
TPSA512.21 Ų
H-Bond Donors13
H-Bond Acceptors38
Rotatable Bonds21
Heavy Atoms148
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002105.88
LogP ≤ 519.43
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1038

Analyze 4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The IUPAC name of 4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine (CID 167651725) is 4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine.
What is the SMILES notation for 4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The canonical SMILES for 4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine is CC(C)n1nccc1-c1nc(Nc2ccc3[nH]ncc3c2Cl)n(C)n1.CN1CCN(Cc2ccc(-c3nc(Nc4ccc5[nH]ncc5c4Cl)n(C)n3)cc2)CC1.Cc1cc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)n(C)n1.Cc1ccc(-c2nc(Nc3ccc4[nH]ncc4c3Cl)n(C)n2)cn1.Cn1nc(-c2cn[nH]c2)nc1Nc1ccc2[nH]ncc2c1Cl.Cn1nc(C2=CCCC2)nc1Nc1ccc2[nH]ncc2c1Cl.
What is the InChIKey of 4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
The InChIKey is QRBBYLZAMMJWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN8.C16H17ClN8.C16H14ClN7.C15H15ClN8.C15H15ClN6.C13H11ClN8/c1-29-9-11-31(12-10-29)14-15-3-5-16(6-4-15)21-26-22(30(2)28-21)25-19-8-7-18-17(20(19)23)13-24-27-18;1-9(2)25-13(6-7-19-25)15-21-16(24(3)23-15)20-12-5-4-11-10(14(12)17)8-18-22-11;1-9-3-4-10(7-18-9)15-21-16(24(2)23-15)20-13-6-5-12-11(14(13)17)8-19-22-12;1-8-6-12(23(2)21-8)14-19-15(24(3)22-14)18-11-5-4-10-9(13(11)16)7-17-20-10;1-22-15(19-14(21-22)9-4-2-3-5-9)18-12-7-6-11-10(13(12)16)8-17-20-11;1-22-13(19-12(21-22)7-4-15-16-5-7)18-10-3-2-9-8(11(10)14)6-17-20-9/h3-8,13H,9-12,14H2,1-2H3,(H,24,27)(H,25,26,28);4-9H,1-3H3,(H,18,22)(H,20,21,23);3-8H,1-2H3,(H,19,22)(H,20,21,23);4-7H,1-3H3,(H,17,20)(H,18,19,22);4,6-8H,2-3,5H2,1H3,(H,17,20)(H,18,19,21);2-6H,1H3,(H,15,16)(H,17,20)(H,18,19,21).
What are the key properties of 4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine?
4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine has a molecular weight of 2105.88 g/mol, XLogP of 19.43, 21 rotatable bonds, 13 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(cyclopenten-1-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[5-(2,5-dimethylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(6-methyl-3-pyridinyl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine;4-chloro-N-[2-methyl-5-(1H-pyrazol-4-yl)-1,2,4-triazol-3-yl]-1H-indazol-5-amine is sourced from PubChem (CID 167651725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).