7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine

C17H18ClN5 — CID 124944000

IUPAC7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine
SMILESClc1ccc(CN2CCCC[C@H]2c2ccn3ccnc3n2)nc1
InChIInChI=1S/C17H18ClN5/c18-13-4-5-14(20-11-13)12-23-8-2-1-3-16(23)15-6-9-22-10-7-19-17(22)21-15/h4-7,9-11,16H,1-3,8,12H2/t16-/m0/s1
InChIKeyBGRTUVHUFTYNPB-INIZCTEOSA-N
MW327.82 g/mol
LogP3.50
Rot. Bonds3

About 7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine

7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine (PubChem CID 124944000) has the molecular formula C17H18ClN5 and a molecular weight of 327.82 g/mol. Its IUPAC name is 7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine
PubChem CID124944000
Molecular FormulaC17H18ClN5
Molecular Weight327.82 g/mol
Exact Mass327.13
IUPAC Name7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine
SMILESClc1ccc(CN2CCCC[C@H]2c2ccn3ccnc3n2)nc1
InChIInChI=1S/C17H18ClN5/c18-13-4-5-14(20-11-13)12-23-8-2-1-3-16(23)15-6-9-22-10-7-19-17(22)21-15/h4-7,9-11,16H,1-3,8,12H2/t16-/m0/s1
InChIKeyBGRTUVHUFTYNPB-INIZCTEOSA-N
XLogP3.50
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl)methyl]-1,3-thiazole
CID 110118108
2-[[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]methyl]-1,3-thiazole
CID 124962159
7-[(2S)-1-(1H-pyrazol-5-ylmethyl)piperidin-2-yl]imidazo[1,2-a]pyrimidine
CID 125007862
4-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-5-(4-fluorophenyl)pyrimidin-2-amine
CID 175661551
2-[(2-chlorophenyl)methyl]-6-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyridine
CID 95817957
N-[2-[1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]-6-methylpyrimidin-4-yl]-5-methyl-1,3-thiazol-2-amine
CID 142770135
1-[(2R)-2-imidazo[1,2-a]pyrimidin-7-ylpiperidin-1-yl]-2-thiophen-2-ylethanone
CID 124970271
2-methyl-4-[(2R)-1-(pyridin-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 95839903
3-chloro-N-[4-[1-[(5-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-1,3-thiazol-2-yl]benzamide
CID 132772385
5-[(2S)-1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 124999522
7-methyl-2-[[(2S)-2-pyridin-2-ylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 124751830
5-[1-[(1-methylimidazol-4-yl)methyl]piperidin-2-yl]pyrazolo[1,5-a]pyrimidine
CID 110118323

Frequently Asked Questions

What is the IUPAC name of 7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine (CID 124944000) is 7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine is Clc1ccc(CN2CCCC[C@H]2c2ccn3ccnc3n2)nc1.
What is the InChIKey of 7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine?
The InChIKey is BGRTUVHUFTYNPB-INIZCTEOSA-N. The full InChI is InChI=1S/C17H18ClN5/c18-13-4-5-14(20-11-13)12-23-8-2-1-3-16(23)15-6-9-22-10-7-19-17(22)21-15/h4-7,9-11,16H,1-3,8,12H2/t16-/m0/s1.
What are the key properties of 7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine?
7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine has a molecular weight of 327.82 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2S)-1-[(5-chloro-2-pyridinyl)methyl]piperidin-2-yl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 124944000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).