2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid

C18H18ClN5O2 — CID 139365208

IUPAC2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(c2nccc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C18H18ClN5O2/c19-13-3-4-16-21-9-15(24(16)11-13)14-5-6-20-18(22-14)23-7-1-2-12(10-23)8-17(25)26/h3-6,9,11-12H,1-2,7-8,10H2,(H,25,26)
InChIKeyRVWQJCXGZGURQN-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.14
Rot. Bonds4

About 2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid

2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid (PubChem CID 139365208) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid
PubChem CID139365208
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(c2nccc(-c3cnc4ccc(Cl)cn34)n2)C1
InChIInChI=1S/C18H18ClN5O2/c19-13-3-4-16-21-9-15(24(16)11-13)14-5-6-20-18(22-14)23-7-1-2-12(10-23)8-17(25)26/h3-6,9,11-12H,1-2,7-8,10H2,(H,25,26)
InChIKeyRVWQJCXGZGURQN-UHFFFAOYSA-N
XLogP3.14
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid with MolForge

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Related Compounds

(R)-2-[(3S,4S)-3-[4-(6-Chloro-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-3-cyclobutyl-propionic acid
CID 44401751
(R)-3-Cyclobutyl-2-[(3S,4S)-3-[4-(6,8-dichloro-imidazo[1,2-a]pyridin-3-yl)-piperidin-1-ylmethyl]-4-(3-fluoro-phenyl)-pyrrolidin-1-yl]-propionic acid
CID 44401956
Imidazo(1,2-a)pyridine-3-acetic acid, 2-(p-chlorophenyl)-
CID 87285
3-[7-Chloro-2-[(1-cyclopropyl-2-oxoimidazo[4,5-c]pyridin-3-yl)methyl]imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 118737720
2-[6-[(8-Cyclopentyl-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl)amino]-3-pyridinyl]acetic acid
CID 44132904
[1-[2-(6-Chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-3-phenylpiperidin-4-yl]methanol
CID 139344346
5,5-Difluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 139344484
5-Fluoro-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 139344754
2-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidin-3-yl]acetic acid
CID 139344781
(3S)-1-[2-(6-chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]piperidine-3-carboxamide
CID 139344825
6-Methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 139344887
1-[2-(6-Chloro-7-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-2,5-dimethylpiperidine-3-carboxamide
CID 139356979

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid (CID 139365208) is 2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(c2nccc(-c3cnc4ccc(Cl)cn34)n2)C1.
What is the InChIKey of 2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid?
The InChIKey is RVWQJCXGZGURQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c19-13-3-4-16-21-9-15(24(16)11-13)14-5-6-20-18(22-14)23-7-1-2-12(10-23)8-17(25)26/h3-6,9,11-12H,1-2,7-8,10H2,(H,25,26).
What are the key properties of 2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid?
2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid has a molecular weight of 371.83 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(6-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-yl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 139365208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).