[(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone

C18H19N5O — CID 124943019

IUPAC[(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESCc1cn2c([C@H]3CCCN(C(=O)c4cncnc4)C3)cccc2n1
InChIInChI=1S/C18H19N5O/c1-13-10-23-16(5-2-6-17(23)21-13)14-4-3-7-22(11-14)18(24)15-8-19-12-20-9-15/h2,5-6,8-10,12,14H,3-4,7,11H2,1H3/t14-/m0/s1
InChIKeyAZNMIZLXKCAGJC-AWEZNQCLSA-N
MW321.38 g/mol
LogP2.45
Rot. Bonds2

About [(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone

[(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone (PubChem CID 124943019) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone
PubChem CID124943019
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone
SMILESCc1cn2c([C@H]3CCCN(C(=O)c4cncnc4)C3)cccc2n1
InChIInChI=1S/C18H19N5O/c1-13-10-23-16(5-2-6-17(23)21-13)14-4-3-7-22(11-14)18(24)15-8-19-12-20-9-15/h2,5-6,8-10,12,14H,3-4,7,11H2,1H3/t14-/m0/s1
InChIKeyAZNMIZLXKCAGJC-AWEZNQCLSA-N
XLogP2.45
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone with MolForge

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Related Compounds

[3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-thiophen-2-ylmethanone
CID 132764006
[2-(2-methylimidazo[1,2-a]pyridin-5-yl)pyrrolidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 110110411
pyrimidin-5-yl-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)piperidin-1-yl]methanone
CID 110258753
(3-bromopiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922724
[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 118471028
(1-methylpyrazol-4-yl)-[3-(5-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110257135
[3-(2-hydroxyethyl)piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 113434939
(3-hydroxy-4-methylpiperidin-1-yl)-pyrimidin-5-ylmethanone
CID 104630335
(2-methyl-1,3-benzothiazol-6-yl)-[3-(6-methyl-4-pyrimidin-5-yl-2-pyridinyl)piperidin-1-yl]methanone
CID 110252485
1-(pyrimidine-5-carbonyl)piperidine-3-carbothioamide
CID 102921864
pyrimidin-5-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 110466868
[(3R)-3-[6-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]-2-pyridinyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 95816332

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone (CID 124943019) is [(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone is Cc1cn2c([C@H]3CCCN(C(=O)c4cncnc4)C3)cccc2n1.
What is the InChIKey of [(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
The InChIKey is AZNMIZLXKCAGJC-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H19N5O/c1-13-10-23-16(5-2-6-17(23)21-13)14-4-3-7-22(11-14)18(24)15-8-19-12-20-9-15/h2,5-6,8-10,12,14H,3-4,7,11H2,1H3/t14-/m0/s1.
What are the key properties of [(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone?
[(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone has a molecular weight of 321.38 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(2-methylimidazo[1,2-a]pyridin-5-yl)piperidin-1-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 124943019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).