[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone

C23H22N6O — CID 125022364

IUPAC[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
SMILESCc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)n1
InChIInChI=1S/C23H22N6O/c1-15-27-20(12-21(28-15)22-24-8-9-25-22)17-6-4-10-29(14-17)23(30)18-11-16-5-2-3-7-19(16)26-13-18/h2-3,5,7-9,11-13,17H,4,6,10,14H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyYQCYUOWBNGRTAQ-QGZVFWFLSA-N
MW398.47 g/mol
LogP3.74
Rot. Bonds3

About [(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone

[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone (PubChem CID 125022364) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is [(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
PubChem CID125022364
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
SMILESCc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)n1
InChIInChI=1S/C23H22N6O/c1-15-27-20(12-21(28-15)22-24-8-9-25-22)17-6-4-10-29(14-17)23(30)18-11-16-5-2-3-7-19(16)26-13-18/h2-3,5,7-9,11-13,17H,4,6,10,14H2,1H3,(H,24,25)/t17-/m1/s1
InChIKeyYQCYUOWBNGRTAQ-QGZVFWFLSA-N
XLogP3.74
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 110110902
[3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 110131923
1-[(3S)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-2-methoxyethanone
CID 125014709
[(3R)-3-[6-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 125023182
[4-[3-(1H-imidazol-2-yl)pyrazin-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 110110907
1-[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]pyrrolidin-1-yl]-2-methylpropan-1-one
CID 124949020
[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 125012241
[2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 110099532
[(2S)-2-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-phenylmethanone
CID 124964204
1-[3-[4-(1H-imidazol-2-yl)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110099625
[3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 70781771
2-[2-[(3S)-1-(quinoline-3-carbonyl)piperidin-3-yl]imidazol-1-yl]acetamide
CID 97269284

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone?
The IUPAC name of [(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone (CID 125022364) is [(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone?
The canonical SMILES for [(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone is Cc1nc(-c2ncc[nH]2)cc([C@@H]2CCCN(C(=O)c3cnc4ccccc4c3)C2)n1.
What is the InChIKey of [(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone?
The InChIKey is YQCYUOWBNGRTAQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22N6O/c1-15-27-20(12-21(28-15)22-24-8-9-25-22)17-6-4-10-29(14-17)23(30)18-11-16-5-2-3-7-19(16)26-13-18/h2-3,5,7-9,11-13,17H,4,6,10,14H2,1H3,(H,24,25)/t17-/m1/s1.
What are the key properties of [(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone?
[(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone has a molecular weight of 398.47 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[6-(1H-imidazol-2-yl)-2-methylpyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone is sourced from PubChem (CID 125022364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).