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

C19H18F2N4O — CID 146556789

IUPAC5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2cn(-c3ccc([C@@]4(F)CCCNC4)cc3)nc12
InChIInChI=1S/C19H18F2N4O/c20-14-8-12-10-25(24-17(12)16(9-14)18(22)26)15-4-2-13(3-5-15)19(21)6-1-7-23-11-19/h2-5,8-10,23H,1,6-7,11H2,(H2,22,26)/t19-/m1/s1
InChIKeyBTSPKDSHMMJFHQ-LJQANCHMSA-N
MW356.38 g/mol
LogP2.81
Rot. Bonds3

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

5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide (PubChem CID 146556789) has the molecular formula C19H18F2N4O and a molecular weight of 356.38 g/mol. Its IUPAC name is 5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
PubChem CID146556789
Molecular FormulaC19H18F2N4O
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cc(F)cc2cn(-c3ccc([C@@]4(F)CCCNC4)cc3)nc12
InChIInChI=1S/C19H18F2N4O/c20-14-8-12-10-25(24-17(12)16(9-14)18(22)26)15-4-2-13(3-5-15)19(21)6-1-7-23-11-19/h2-5,8-10,23H,1,6-7,11H2,(H2,22,26)/t19-/m1/s1
InChIKeyBTSPKDSHMMJFHQ-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 5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of 5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide (CID 146556789) is 5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide is NC(=O)c1cc(F)cc2cn(-c3ccc([C@@]4(F)CCCNC4)cc3)nc12.
What is the InChIKey of 5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The InChIKey is BTSPKDSHMMJFHQ-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18F2N4O/c20-14-8-12-10-25(24-17(12)16(9-14)18(22)26)15-4-2-13(3-5-15)19(21)6-1-7-23-11-19/h2-5,8-10,23H,1,6-7,11H2,(H2,22,26)/t19-/m1/s1.
What are the key properties of 5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
5-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 5-fluoro-2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 146556789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).