5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C30H25F3N6O — CID 89451018

IUPAC5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C30H25F3N6O/c31-23-4-1-20(2-5-23)26-8-6-24(17-35-26)36-29(40)28-25-14-21(3-7-27(25)37-38-28)22-13-19(15-34-16-22)18-39-11-9-30(32,33)10-12-39/h1-8,13-17H,9-12,18H2,(H,36,40)(H,37,38)
InChIKeyHMNYLBMZDRWTCY-UHFFFAOYSA-N
MW542.57 g/mol
LogP6.31
Rot. Bonds6

About 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451018) has the molecular formula C30H25F3N6O and a molecular weight of 542.57 g/mol. Its IUPAC name is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide
PubChem CID89451018
Molecular FormulaC30H25F3N6O
Molecular Weight542.57 g/mol
Exact Mass542.20
IUPAC Name5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12
InChIInChI=1S/C30H25F3N6O/c31-23-4-1-20(2-5-23)26-8-6-24(17-35-26)36-29(40)28-25-14-21(3-7-27(25)37-38-28)22-13-19(15-34-16-22)18-39-11-9-30(32,33)10-12-39/h1-8,13-17H,9-12,18H2,(H,36,40)(H,37,38)
InChIKeyHMNYLBMZDRWTCY-UHFFFAOYSA-N
XLogP6.31
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.57
LogP ≤ 56.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-Fluoro-5-[[3-[(1E)-2-(2-pyridinyl)ethenyl]-1H-indazol-6-yl]amino]phenyl]-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 9934283
N-(6-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 89458694
4-[4-[2,4-Bis(Fluoranyl)phenyl]piperazin-1-Yl]-2-Fluoranyl-N-[(2r)-3-(1h-Indol-3-Yl)-1-Oxidanylidene-1-(Pyridin-4-Ylamino)propan-2-Yl]benzamide
CID 76936779
(R)-N-(3-(1h-Indol-3-Yl)-1-Oxo-1-(Pyridin-4-Ylamino)propan-2-Yl)-4-(4-(3,4-Difluorophenyl)piperazin-1-Yl)-2-Fluorobenzamide
CID 76936801
Nalpha-(2-Fluoro-4-{4-[4-(Trifluoromethyl)phenyl]piperazin-1-Yl}benzoyl)-N-Pyridin-4-Yl-D-Tryptophanamide
CID 77068208
N-(5-methyl-3-pyridinyl)-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 118381061
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(1H-pyrazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
CID 5280160
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-1H-pyrazole-5-carboxamide
CID 15958784
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N-methyl-1H-pyrazole-5-carboxamide
CID 15958785
3-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-fluoro-1H-pyrrolo[2,3-c]pyridin-7-yl]-N,N-dimethyl-1H-pyrazole-5-carboxamide
CID 15958786
3-(5-((4-fluoropiperidin-1-yl)methyl)-1H-indol-2-yl)-6-(1H-pyrazol-4-yl)quinolin-2(1H)-one
CID 16049816
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431440

Frequently Asked Questions

What is the IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451018) is 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2ccc(F)cc2)nc1)c1n[nH]c2ccc(-c3cncc(CN4CCC(F)(F)CC4)c3)cc12.
What is the InChIKey of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
The InChIKey is HMNYLBMZDRWTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N6O/c31-23-4-1-20(2-5-23)26-8-6-24(17-35-26)36-29(40)28-25-14-21(3-7-27(25)37-38-28)22-13-19(15-34-16-22)18-39-11-9-30(32,33)10-12-39/h1-8,13-17H,9-12,18H2,(H,36,40)(H,37,38).
What are the key properties of 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide?
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 542.57 g/mol, XLogP of 6.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-(4-fluorophenyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).