2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid

C19H19N3O2 — CID 118737587

IUPAC2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid
SMILESO=C(O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12
InChIInChI=1S/C19H19N3O2/c23-19(24)17-5-1-3-15-12-22(21-18(15)17)16-8-6-13(7-9-16)14-4-2-10-20-11-14/h1,3,5-9,12,14,20H,2,4,10-11H2,(H,23,24)/t14-/m1/s1
InChIKeyHDQHGRLURKGIFL-CQSZACIVSA-N
MW321.38 g/mol
LogP3.19
Rot. Bonds3

About 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid

2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid (PubChem CID 118737587) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid.

Molecular Properties

Compound Name2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid
PubChem CID118737587
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid
SMILESO=C(O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12
InChIInChI=1S/C19H19N3O2/c23-19(24)17-5-1-3-15-12-22(21-18(15)17)16-8-6-13(7-9-16)14-4-2-10-20-11-14/h1,3,5-9,12,14,20H,2,4,10-11H2,(H,23,24)/t14-/m1/s1
InChIKeyHDQHGRLURKGIFL-CQSZACIVSA-N
XLogP3.19
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid?
The IUPAC name of 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid (CID 118737587) is 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid.
What is the SMILES notation for 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid?
The canonical SMILES for 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid is O=C(O)c1cccc2cn(-c3ccc([C@@H]4CCCNC4)cc3)nc12.
What is the InChIKey of 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid?
The InChIKey is HDQHGRLURKGIFL-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(24)17-5-1-3-15-12-22(21-18(15)17)16-8-6-13(7-9-16)14-4-2-10-20-11-14/h1,3,5-9,12,14,20H,2,4,10-11H2,(H,23,24)/t14-/m1/s1.
What are the key properties of 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid?
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxylic acid is sourced from PubChem (CID 118737587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).