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

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Related Compounds

2-methyl-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]-1,3-thiazol-5-amine
CID 139448880
6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431454
6-fluoro-N-[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431401
5-fluoro-N-[1-[5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1H-indazol-3-yl]ethenyl]pyridin-3-amine
CID 139448859
2-methyl-N-[2-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-1,3-thiazole-5-carboxamide
CID 138589819
N-[4-(1-fluoroethoxy)phenyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]-1H-indazole-3-carboxamide;N-[4-(1-fluoroethoxy)phenyl]-5-[1-(piperidin-4-ylmethyl)pyrazol-4-yl]-1H-indazole-3-carboxamide;N-[4-(1-fluoroethoxy)phenyl]-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)-1H-indazole-3-carboxamide;6-fluoro-N-[4-(1-methylpiperidin-4-yl)phenyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 167622647
3-(4-amino-2-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridin-2-amine
CID 146424750
3-fluoro-5-methyl-N-(2-methyl-1,3-thiazol-5-yl)pyridine-2-carboxamide
CID 146074796
N-(4-fluorophenyl)-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1a,2-dihydro-1H-azirino[2,3-b]quinoline-7-carboxamide
CID 153337236
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid
CID 67388257
6-fluoro-N-[6-(methylcarbamoyl)-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381216
2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-3-carboxylic acid;hydrochloride
CID 67388256

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).