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

C19H19FN4O — CID 146479479

IUPAC2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc([C@@]4(F)CCCNC4)cc3)nc12
InChIInChI=1S/C19H19FN4O/c20-19(9-2-10-22-12-19)14-5-7-15(8-6-14)24-11-13-3-1-4-16(18(21)25)17(13)23-24/h1,3-8,11,22H,2,9-10,12H2,(H2,21,25)/t19-/m1/s1
InChIKeyWKTMMORAVFTJMW-LJQANCHMSA-N
MW338.39 g/mol
LogP2.67
Rot. Bonds3

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

2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide (PubChem CID 146479479) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is 2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide.

Molecular Properties

Compound Name2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
PubChem CID146479479
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide
SMILESNC(=O)c1cccc2cn(-c3ccc([C@@]4(F)CCCNC4)cc3)nc12
InChIInChI=1S/C19H19FN4O/c20-19(9-2-10-22-12-19)14-5-7-15(8-6-14)24-11-13-3-1-4-16(18(21)25)17(13)23-24/h1,3-8,11,22H,2,9-10,12H2,(H2,21,25)/t19-/m1/s1
InChIKeyWKTMMORAVFTJMW-LJQANCHMSA-N
XLogP2.67
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The IUPAC name of 2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide (CID 146479479) is 2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide.
What is the SMILES notation for 2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The canonical SMILES for 2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide is NC(=O)c1cccc2cn(-c3ccc([C@@]4(F)CCCNC4)cc3)nc12.
What is the InChIKey of 2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
The InChIKey is WKTMMORAVFTJMW-LJQANCHMSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-19(9-2-10-22-12-19)14-5-7-15(8-6-14)24-11-13-3-1-4-16(18(21)25)17(13)23-24/h1,3-8,11,22H,2,9-10,12H2,(H2,21,25)/t19-/m1/s1.
What are the key properties of 2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide?
2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide has a molecular weight of 338.39 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-3-fluoropiperidin-3-yl]phenyl]indazole-7-carboxamide is sourced from PubChem (CID 146479479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).