1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid

C18H18N4O2 — CID 117099169

IUPAC1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3nc(-c4cccnc4)cn3c2)CC1
InChIInChI=1S/C18H18N4O2/c23-18(24)13-5-8-21(9-6-13)15-3-4-17-20-16(12-22(17)11-15)14-2-1-7-19-10-14/h1-4,7,10-13H,5-6,8-9H2,(H,23,24)
InChIKeyORSIODOXSMPQDQ-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.70
Rot. Bonds3

About 1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid

1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid (PubChem CID 117099169) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid
PubChem CID117099169
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(c2ccc3nc(-c4cccnc4)cn3c2)CC1
InChIInChI=1S/C18H18N4O2/c23-18(24)13-5-8-21(9-6-13)15-3-4-17-20-16(12-22(17)11-15)14-2-1-7-19-10-14/h1-4,7,10-13H,5-6,8-9H2,(H,23,24)
InChIKeyORSIODOXSMPQDQ-UHFFFAOYSA-N
XLogP2.70
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-iodo-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 169323354
1-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 51063831
2-pyridin-3-yl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-ol
CID 117156862
1-(4-pyridin-3-ylphenyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 175830062
CID 177316259
CID 177316259
1-[4-(4-phenoxyphenyl)-5-pyridin-3-yl-1,3-thiazol-2-yl]piperidine-4-carboxylic acid
CID 171750255
1-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048560
1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid
CID 69133100
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
(3R)-1-pyridin-3-ylpiperidine-3-carboxylic acid
CID 86332569
2-[6-(azepan-1-yl)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82022014
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid (CID 117099169) is 1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid is O=C(O)C1CCN(c2ccc3nc(-c4cccnc4)cn3c2)CC1.
What is the InChIKey of 1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid?
The InChIKey is ORSIODOXSMPQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(24)13-5-8-21(9-6-13)15-3-4-17-20-16(12-22(17)11-15)14-2-1-7-19-10-14/h1-4,7,10-13H,5-6,8-9H2,(H,23,24).
What are the key properties of 1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid?
1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid has a molecular weight of 322.37 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyridin-3-ylimidazo[1,2-a]pyridin-6-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 117099169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).