2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide

C19H18F2N4O — CID 146557129

IUPAC2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc([C@@]4(F)CNC[C@@H](F)C4)cc3)nc12
InChIInChI=1S/C19H18F2N4O/c20-14-8-19(21,11-23-9-14)13-4-6-15(7-5-13)25-10-12-2-1-3-16(18(22)26)17(12)24-25/h1-7,10,14,23H,8-9,11H2,(H2,22,26)/t14-,19-/m0/s1
InChIKeyUZQNTLPLNUCQMR-LIRRHRJNSA-N
MW356.38 g/mol
LogP2.62
Rot. Bonds3

About 2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide

2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide (PubChem CID 146557129) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
PubChem CID146557129
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc([C@@]4(F)CNC[C@@H](F)C4)cc3)nc12
InChIInChI=1S/C19H18F2N4O/c20-14-8-19(21,11-23-9-14)13-4-6-15(7-5-13)25-10-12-2-1-3-16(18(22)26)17(12)24-25/h1-7,10,14,23H,8-9,11H2,(H2,22,26)/t14-,19-/m0/s1
InChIKeyUZQNTLPLNUCQMR-LIRRHRJNSA-N
XLogP2.62
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(3R)-3-cyclopropylpiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146557119
5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146556789
ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 176571066
2-[4-[(6-fluoro-1,4-diazepan-1-yl)methyl]phenyl]indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171928768
2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588348
2-(4-cyclohexylphenyl)indazole-7-carboxamide
CID 129198392
2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146557221
2-[4-[1-(1-hydroxypropyl)-3-azabicyclo[4.1.0]heptan-6-yl]phenyl]indazole-7-carboxamide
CID 118018100
2-[4-(2,2-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588339
6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146556799
2-[4-[(3S)-2,2,4,4,5,5,6,6-octadeuteriopiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 154588406
2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588459

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide (CID 146557129) is 2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc([C@@]4(F)CNC[C@@H](F)C4)cc3)nc12.
What is the InChIKey of 2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The InChIKey is UZQNTLPLNUCQMR-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-14-8-19(21,11-23-9-14)13-4-6-15(7-5-13)25-10-12-2-1-3-16(18(22)26)17(12)24-25/h1-7,10,14,23H,8-9,11H2,(H2,22,26)/t14-,19-/m0/s1.
What are the key properties of 2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 146557129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).