(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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).