5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide

C21H23N7OS — CID 139431548

IUPAC5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2n[nH]c3ccc(-c4cnn(C5CCN(C)CC5)c4)cc23)s1
InChIInChI=1S/C21H23N7OS/c1-13-10-22-21(30-13)24-20(29)19-17-9-14(3-4-18(17)25-26-19)15-11-23-28(12-15)16-5-7-27(2)8-6-16/h3-4,9-12,16H,5-8H2,1-2H3,(H,25,26)(H,22,24,29)
InChIKeyCDNQBRMCVASTDZ-UHFFFAOYSA-N
MW421.53 g/mol
LogP3.71
Rot. Bonds4

About 5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide

5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide (PubChem CID 139431548) has the molecular formula C21H23N7OS and a molecular weight of 421.53 g/mol. Its IUPAC name is 5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
PubChem CID139431548
Molecular FormulaC21H23N7OS
Molecular Weight421.53 g/mol
Exact Mass421.17
IUPAC Name5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide
SMILESCc1cnc(NC(=O)c2n[nH]c3ccc(-c4cnn(C5CCN(C)CC5)c4)cc23)s1
InChIInChI=1S/C21H23N7OS/c1-13-10-22-21(30-13)24-20(29)19-17-9-14(3-4-18(17)25-26-19)15-11-23-28(12-15)16-5-7-27(2)8-6-16/h3-4,9-12,16H,5-8H2,1-2H3,(H,25,26)(H,22,24,29)
InChIKeyCDNQBRMCVASTDZ-UHFFFAOYSA-N
XLogP3.71
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.53
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide (CID 139431548) is 5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide is Cc1cnc(NC(=O)c2n[nH]c3ccc(-c4cnn(C5CCN(C)CC5)c4)cc23)s1.
What is the InChIKey of 5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
The InChIKey is CDNQBRMCVASTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7OS/c1-13-10-22-21(30-13)24-20(29)19-17-9-14(3-4-18(17)25-26-19)15-11-23-28(12-15)16-5-7-27(2)8-6-16/h3-4,9-12,16H,5-8H2,1-2H3,(H,25,26)(H,22,24,29).
What are the key properties of 5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide?
5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide has a molecular weight of 421.53 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).