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

C19H18F2N4O — CID 146556799

IUPAC6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1c(F)ccc2cn(-c3ccc([C@@]4(F)CCCNC4)cc3)nc12
InChIInChI=1S/C19H18F2N4O/c20-15-7-2-12-10-25(24-17(12)16(15)18(22)26)14-5-3-13(4-6-14)19(21)8-1-9-23-11-19/h2-7,10,23H,1,8-9,11H2,(H2,22,26)/t19-/m1/s1
InChIKeyPNKJRTKSNVNYGQ-LJQANCHMSA-N
MW356.38 g/mol
LogP2.81
Rot. Bonds3

About 6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide

6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide (PubChem CID 146556799) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
PubChem CID146556799
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1c(F)ccc2cn(-c3ccc([C@@]4(F)CCCNC4)cc3)nc12
InChIInChI=1S/C19H18F2N4O/c20-15-7-2-12-10-25(24-17(12)16(15)18(22)26)14-5-3-13(4-6-14)19(21)8-1-9-23-11-19/h2-7,10,23H,1,8-9,11H2,(H2,22,26)/t19-/m1/s1
InChIKeyPNKJRTKSNVNYGQ-LJQANCHMSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of 6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide (CID 146556799) is 6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide is NC(=O)c1c(F)ccc2cn(-c3ccc([C@@]4(F)CCCNC4)cc3)nc12.
What is the InChIKey of 6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The InChIKey is PNKJRTKSNVNYGQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-15-7-2-12-10-25(24-17(12)16(15)18(22)26)14-5-3-13(4-6-14)19(21)8-1-9-23-11-19/h2-7,10,23H,1,8-9,11H2,(H2,22,26)/t19-/m1/s1.
What are the key properties of 6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 146556799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).