(2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid

C14H17ClN4O2 — CID 68665785

IUPAC(2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid
SMILESCc1ccn2c(Cl)c(C[C@@H]3CCCCN3C(=O)O)nc2n1
InChIInChI=1S/C14H17ClN4O2/c1-9-5-7-19-12(15)11(17-13(19)16-9)8-10-4-2-3-6-18(10)14(20)21/h5,7,10H,2-4,6,8H2,1H3,(H,20,21)/t10-/m0/s1
InChIKeyCFPIDSMXACWSMH-JTQLQIEISA-N
MW308.77 g/mol
LogP2.77
Rot. Bonds2

About (2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid

(2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid (PubChem CID 68665785) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is (2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid
PubChem CID68665785
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name(2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid
SMILESCc1ccn2c(Cl)c(C[C@@H]3CCCCN3C(=O)O)nc2n1
InChIInChI=1S/C14H17ClN4O2/c1-9-5-7-19-12(15)11(17-13(19)16-9)8-10-4-2-3-6-18(10)14(20)21/h5,7,10H,2-4,6,8H2,1H3,(H,20,21)/t10-/m0/s1
InChIKeyCFPIDSMXACWSMH-JTQLQIEISA-N
XLogP2.77
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid with MolForge

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Related Compounds

[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(3-ethoxy-6-methyl-2-pyridinyl)methanone
CID 46701613
[(2S)-2-[(3-chloro-8-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-1-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone;hydrochloride
CID 68942275
(2S)-2-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-1-carboxylic acid
CID 68938043
2-(2-chloroethyl)piperidine-1-carboxylic acid
CID 53441587
2-[(4-carbamoylphenyl)methyl]piperidine-1-carboxylic acid;hydrochloride
CID 141153297
2-(3-chloropropyl)piperidine-1-carboxylic acid
CID 68868477
tert-butyl 2-[(3-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidine-1-carboxylate
CID 76562696
(2-chloro-6-methylpyrimidin-4-yl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 114219653
2-[2-(4-methylphenyl)sulfonyloxyethyl]piperidine-1-carboxylic acid
CID 57002173
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
3-[1-(2-methyl-1,3-thiazole-4-carbonyl)piperidin-2-yl]propanoic acid
CID 65199299
2-nonylpiperidine-1-carboxylic acid
CID 69469776

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of (2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid (CID 68665785) is (2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid is Cc1ccn2c(Cl)c(C[C@@H]3CCCCN3C(=O)O)nc2n1.
What is the InChIKey of (2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid?
The InChIKey is CFPIDSMXACWSMH-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9-5-7-19-12(15)11(17-13(19)16-9)8-10-4-2-3-6-18(10)14(20)21/h5,7,10H,2-4,6,8H2,1H3,(H,20,21)/t10-/m0/s1.
What are the key properties of (2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid?
(2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid has a molecular weight of 308.77 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3-chloro-7-methylimidazo[1,2-a]pyrimidin-2-yl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 68665785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).