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

C19H18F2N4O — CID 146557221

IUPAC2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc([C@H]4CNCC[C@H]4F)c(F)c3)nc12
InChIInChI=1S/C19H18F2N4O/c20-16-6-7-23-9-15(16)13-5-4-12(8-17(13)21)25-10-11-2-1-3-14(19(22)26)18(11)24-25/h1-5,8,10,15-16,23H,6-7,9H2,(H2,22,26)/t15-,16-/m1/s1
InChIKeyXYWQGQYGEOJZBT-HZPDHXFCSA-N
MW356.38 g/mol
LogP2.68
Rot. Bonds3

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

2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide (PubChem CID 146557221) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
PubChem CID146557221
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc([C@H]4CNCC[C@H]4F)c(F)c3)nc12
InChIInChI=1S/C19H18F2N4O/c20-16-6-7-23-9-15(16)13-5-4-12(8-17(13)21)25-10-11-2-1-3-14(19(22)26)18(11)24-25/h1-5,8,10,15-16,23H,6-7,9H2,(H2,22,26)/t15-,16-/m1/s1
InChIKeyXYWQGQYGEOJZBT-HZPDHXFCSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 176571066
2-[4-(5,5-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588348
2-(1,2,3,4-tetrahydroisoquinolin-6-yl)indazole-7-carboxamide;hydrochloride
CID 173064640
2-[2,3,5,6-tetradeuterio-4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 154588359
2-[4-(piperidin-4-ylmethylcarbamoyl)phenyl]indazole-7-carboxamide
CID 67341288
2-[4-[(3R,5S)-3,5-difluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
CID 146557129
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;3,3,3-trifluoropropanoic acid
CID 118451760
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide;trifluoromethyl acetate
CID 159354523
2-[4-(2,2-dideuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588339
2-[4-(2-deuteriopiperidin-3-yl)phenyl]indazole-7-carboxamide
CID 154588459
2-(4-cyclohexylphenyl)indazole-7-carboxamide
CID 129198392
5-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 24958203

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide (CID 146557221) is 2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc([C@H]4CNCC[C@H]4F)c(F)c3)nc12.
What is the InChIKey of 2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The InChIKey is XYWQGQYGEOJZBT-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-16-6-7-23-9-15(16)13-5-4-12(8-17(13)21)25-10-11-2-1-3-14(19(22)26)18(11)24-25/h1-5,8,10,15-16,23H,6-7,9H2,(H2,22,26)/t15-,16-/m1/s1.
What are the key properties of 2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[(3S,4R)-4-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 146557221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).