2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate

C63H59N15O5S3 — CID 157405506

IUPAC2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2[nH]nc3c(C)cc(C)cc23)sc1-c1cccnc1.Cc1cc(C)c2n[nH]c(-c3nc(C(=O)N4CC(N5CCN(C)CC5)C4)c(-c4cccnc4)s3)c2c1.Cc1cc(C)c2n[nH]c(-c3nc(C(=O)O)c(-c4cccnc4)s3)c2c1
InChIInChI=1S/C26H29N7OS.C19H16N4O2S.C18H14N4O2S/c1-16-11-17(2)21-20(12-16)22(30-29-21)25-28-23(24(35-25)18-5-4-6-27-13-18)26(34)33-14-19(15-33)32-9-7-31(3)8-10-32;1-10-7-11(2)14-13(8-10)15(23-22-14)18-21-16(19(24)25-3)17(26-18)12-5-4-6-20-9-12;1-9-6-10(2)13-12(7-9)14(22-21-13)17-20-15(18(23)24)16(25-17)11-4-3-5-19-8-11/h4-6,11-13,19H,7-10,14-15H2,1-3H3,(H,29,30);4-9H,1-3H3,(H,22,23);3-8H,1-2H3,(H,21,22)(H,23,24)
InChIKeyBNRBPMQEOIFAAW-UHFFFAOYSA-N
MW1202.47 g/mol
LogP11.65
Rot. Bonds10

About 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate

2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 157405506) has the molecular formula C63H59N15O5S3 and a molecular weight of 1202.47 g/mol. Its IUPAC name is 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Name2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
PubChem CID157405506
Molecular FormulaC63H59N15O5S3
Molecular Weight1202.47 g/mol
Exact Mass1201.40
IUPAC Name2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2[nH]nc3c(C)cc(C)cc23)sc1-c1cccnc1.Cc1cc(C)c2n[nH]c(-c3nc(C(=O)N4CC(N5CCN(C)CC5)C4)c(-c4cccnc4)s3)c2c1.Cc1cc(C)c2n[nH]c(-c3nc(C(=O)O)c(-c4cccnc4)s3)c2c1
InChIInChI=1S/C26H29N7OS.C19H16N4O2S.C18H14N4O2S/c1-16-11-17(2)21-20(12-16)22(30-29-21)25-28-23(24(35-25)18-5-4-6-27-13-18)26(34)33-14-19(15-33)32-9-7-31(3)8-10-32;1-10-7-11(2)14-13(8-10)15(23-22-14)18-21-16(19(24)25-3)17(26-18)12-5-4-6-20-9-12;1-9-6-10(2)13-12(7-9)14(22-21-13)17-20-15(18(23)24)16(25-17)11-4-3-5-19-8-11/h4-6,11-13,19H,7-10,14-15H2,1-3H3,(H,29,30);4-9H,1-3H3,(H,22,23);3-8H,1-2H3,(H,21,22)(H,23,24)
InChIKeyBNRBPMQEOIFAAW-UHFFFAOYSA-N
XLogP11.65
TPSA253.77 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001202.47
LogP ≤ 511.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate (CID 157405506) is 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2[nH]nc3c(C)cc(C)cc23)sc1-c1cccnc1.Cc1cc(C)c2n[nH]c(-c3nc(C(=O)N4CC(N5CCN(C)CC5)C4)c(-c4cccnc4)s3)c2c1.Cc1cc(C)c2n[nH]c(-c3nc(C(=O)O)c(-c4cccnc4)s3)c2c1.
What is the InChIKey of 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is BNRBPMQEOIFAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7OS.C19H16N4O2S.C18H14N4O2S/c1-16-11-17(2)21-20(12-16)22(30-29-21)25-28-23(24(35-25)18-5-4-6-27-13-18)26(34)33-14-19(15-33)32-9-7-31(3)8-10-32;1-10-7-11(2)14-13(8-10)15(23-22-14)18-21-16(19(24)25-3)17(26-18)12-5-4-6-20-9-12;1-9-6-10(2)13-12(7-9)14(22-21-13)17-20-15(18(23)24)16(25-17)11-4-3-5-19-8-11/h4-6,11-13,19H,7-10,14-15H2,1-3H3,(H,29,30);4-9H,1-3H3,(H,22,23);3-8H,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate?
2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 1202.47 g/mol, XLogP of 11.65, 10 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylic acid;[2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methanone;methyl 2-(5,7-dimethyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 157405506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).