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

C21H22FN7OS — CID 139431536

IUPAC6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
SMILESCc1ncc(NC(=O)c2n[nH]c3cc(F)c(-c4cnn(C5CCN(C)CC5)c4)cc23)s1
InChIInChI=1S/C21H22FN7OS/c1-12-23-10-19(31-12)25-21(30)20-16-7-15(17(22)8-18(16)26-27-20)13-9-24-29(11-13)14-3-5-28(2)6-4-14/h7-11,14H,3-6H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyUCSAFKQUPCTJOS-UHFFFAOYSA-N
MW439.52 g/mol
LogP3.85
Rot. Bonds4

About 6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide

6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide (PubChem CID 139431536) has the molecular formula C21H22FN7OS and a molecular weight of 439.52 g/mol. Its IUPAC name is 6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
PubChem CID139431536
Molecular FormulaC21H22FN7OS
Molecular Weight439.52 g/mol
Exact Mass439.16
IUPAC Name6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide
SMILESCc1ncc(NC(=O)c2n[nH]c3cc(F)c(-c4cnn(C5CCN(C)CC5)c4)cc23)s1
InChIInChI=1S/C21H22FN7OS/c1-12-23-10-19(31-12)25-21(30)20-16-7-15(17(22)8-18(16)26-27-20)13-9-24-29(11-13)14-3-5-28(2)6-4-14/h7-11,14H,3-6H2,1-2H3,(H,25,30)(H,26,27)
InChIKeyUCSAFKQUPCTJOS-UHFFFAOYSA-N
XLogP3.85
TPSA91.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide 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 6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide (CID 139431536) is 6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide is Cc1ncc(NC(=O)c2n[nH]c3cc(F)c(-c4cnn(C5CCN(C)CC5)c4)cc23)s1.
What is the InChIKey of 6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
The InChIKey is UCSAFKQUPCTJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN7OS/c1-12-23-10-19(31-12)25-21(30)20-16-7-15(17(22)8-18(16)26-27-20)13-9-24-29(11-13)14-3-5-28(2)6-4-14/h7-11,14H,3-6H2,1-2H3,(H,25,30)(H,26,27).
What are the key properties of 6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide?
6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-N-(2-methyl-1,3-thiazol-5-yl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).