[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

C20H22N6O — CID 124949743

IUPAC[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1cc(-c2ncc(C)[nH]2)nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1
InChIInChI=1S/C20H22N6O/c1-13-9-17(19-22-10-14(2)24-19)25-18(23-13)16-6-4-8-26(12-16)20(27)15-5-3-7-21-11-15/h3,5,7,9-11,16H,4,6,8,12H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeyCWIRHATUCXBONO-MRXNPFEDSA-N
MW362.44 g/mol
LogP2.90
Rot. Bonds3

About [(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone

[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 124949743) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is [(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID124949743
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCc1cc(-c2ncc(C)[nH]2)nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1
InChIInChI=1S/C20H22N6O/c1-13-9-17(19-22-10-14(2)24-19)25-18(23-13)16-6-4-8-26(12-16)20(27)15-5-3-7-21-11-15/h3,5,7,9-11,16H,4,6,8,12H2,1-2H3,(H,22,24)/t16-/m1/s1
InChIKeyCWIRHATUCXBONO-MRXNPFEDSA-N
XLogP2.90
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

[(3S)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 124959033
[(2S)-2-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]pyrrolidin-1-yl]-phenylmethanone
CID 124996159
[3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]piperidin-1-yl]-quinolin-3-ylmethanone
CID 110110902
[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 53192223
[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 118471028
(3-pyrazin-2-ylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 110224388
[(3S)-3-(5-methyl-1H-imidazol-2-yl)piperidin-1-yl]-quinolin-6-ylmethanone
CID 124986274
[(3R)-3-[2-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-4-yl]pyrrolidin-1-yl]-phenylmethanone
CID 125012241
[(3S)-3-[4-[(4-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816331
[(3S)-3-(2-aminopyrimidin-4-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 95824096
6-[(3S)-1-(pyridine-3-carbonyl)piperidin-3-yl]pyridine-2-carboxamide
CID 95818545
2-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136678872

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (CID 124949743) is [(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is Cc1cc(-c2ncc(C)[nH]2)nc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1.
What is the InChIKey of [(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is CWIRHATUCXBONO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N6O/c1-13-9-17(19-22-10-14(2)24-19)25-18(23-13)16-6-4-8-26(12-16)20(27)15-5-3-7-21-11-15/h3,5,7,9-11,16H,4,6,8,12H2,1-2H3,(H,22,24)/t16-/m1/s1.
What are the key properties of [(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone?
[(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 362.44 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-methyl-6-(5-methyl-1H-imidazol-2-yl)pyrimidin-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 124949743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).