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

C19H18F2N4O — CID 146556774

IUPAC3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2c(F)n(-c3ccc([C@H]4CNC[C@H](F)C4)cc3)nc12
InChIInChI=1S/C19H18F2N4O/c20-13-8-12(9-23-10-13)11-4-6-14(7-5-11)25-18(21)15-2-1-3-16(19(22)26)17(15)24-25/h1-7,12-13,23H,8-10H2,(H2,22,26)/t12-,13-/m1/s1
InChIKeyYEHLSULLNGRSJX-CHWSQXEVSA-N
MW356.38 g/mol
LogP2.68
Rot. Bonds3

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

3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide (PubChem CID 146556774) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
PubChem CID146556774
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2c(F)n(-c3ccc([C@H]4CNC[C@H](F)C4)cc3)nc12
InChIInChI=1S/C19H18F2N4O/c20-13-8-12(9-23-10-13)11-4-6-14(7-5-11)25-18(21)15-2-1-3-16(19(22)26)17(15)24-25/h1-7,12-13,23H,8-10H2,(H2,22,26)/t12-,13-/m1/s1
InChIKeyYEHLSULLNGRSJX-CHWSQXEVSA-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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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of 3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide (CID 146556774) is 3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide is NC(=O)c1cccc2c(F)n(-c3ccc([C@H]4CNC[C@H](F)C4)cc3)nc12.
What is the InChIKey of 3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The InChIKey is YEHLSULLNGRSJX-CHWSQXEVSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-13-8-12(9-23-10-13)11-4-6-14(7-5-11)25-18(21)15-2-1-3-16(19(22)26)17(15)24-25/h1-7,12-13,23H,8-10H2,(H2,22,26)/t12-,13-/m1/s1.
What are the key properties of 3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
3-fluoro-2-[4-[(3S,5R)-5-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 3-fluoro-2-[4-[(3S,5R)-5-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 146556774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).