(3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid

C18H18N4O2 — CID 85471687

IUPAC(3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2cc(-c3n[nH]c4ccccc34)ccn2)C1
InChIInChI=1S/C18H18N4O2/c23-18(24)13-4-3-9-22(11-13)16-10-12(7-8-19-16)17-14-5-1-2-6-15(14)20-21-17/h1-2,5-8,10,13H,3-4,9,11H2,(H,20,21)(H,23,24)/t13-/m1/s1
InChIKeyHPMRSXQMJAHVLW-CYBMUJFWSA-N
MW322.37 g/mol
LogP2.93
Rot. Bonds3

About (3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid

(3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid (PubChem CID 85471687) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is (3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid
PubChem CID85471687
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name(3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2cc(-c3n[nH]c4ccccc34)ccn2)C1
InChIInChI=1S/C18H18N4O2/c23-18(24)13-4-3-9-22(11-13)16-10-12(7-8-19-16)17-14-5-1-2-6-15(14)20-21-17/h1-2,5-8,10,13H,3-4,9,11H2,(H,20,21)(H,23,24)/t13-/m1/s1
InChIKeyHPMRSXQMJAHVLW-CYBMUJFWSA-N
XLogP2.93
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid with MolForge

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Related Compounds

3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole
CID 85472972
3-[2-(4-pyridin-4-ylpiperidin-1-yl)-4-pyridinyl]-1H-indazole
CID 118657115
1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770146
1-[4-(1H-indazol-3-yl)-2-pyridinyl]-4-pyridin-2-ylpiperidin-4-ol
CID 85473220
9-[4-(1H-indazol-3-yl)-2-pyridinyl]-1,9-diazaspiro[5.5]undecan-2-one
CID 85471817
1-[4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770155
phenyl-[1-[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-3-yl]methanone
CID 72845735
4-[4-(6-phenyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 90400805
1-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidine-3-carboxylic acid
CID 56770201
(3R)-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914108
1-(2-cyclopropyl-6-phenylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 102549353
1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
CID 56771463

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid (CID 85471687) is (3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(c2cc(-c3n[nH]c4ccccc34)ccn2)C1.
What is the InChIKey of (3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
The InChIKey is HPMRSXQMJAHVLW-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(24)13-4-3-9-22(11-13)16-10-12(7-8-19-16)17-14-5-1-2-6-15(14)20-21-17/h1-2,5-8,10,13H,3-4,9,11H2,(H,20,21)(H,23,24)/t13-/m1/s1.
What are the key properties of (3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid?
(3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid has a molecular weight of 322.37 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(1H-indazol-3-yl)-2-pyridinyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 85471687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).