2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone

C20H23N5O — CID 125024089

IUPAC2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCc1nccc([C@H]2CCCN(C(=O)Cc3c(C)nc4ccccn34)C2)n1
InChIInChI=1S/C20H23N5O/c1-14-18(25-11-4-3-7-19(25)22-14)12-20(26)24-10-5-6-16(13-24)17-8-9-21-15(2)23-17/h3-4,7-9,11,16H,5-6,10,12-13H2,1-2H3/t16-/m0/s1
InChIKeyZCXXRQLTLAMMLB-INIZCTEOSA-N
MW349.44 g/mol
LogP2.69
Rot. Bonds3

About 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone

2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone (PubChem CID 125024089) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
PubChem CID125024089
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
SMILESCc1nccc([C@H]2CCCN(C(=O)Cc3c(C)nc4ccccn34)C2)n1
InChIInChI=1S/C20H23N5O/c1-14-18(25-11-4-3-7-19(25)22-14)12-20(26)24-10-5-6-16(13-24)17-8-9-21-15(2)23-17/h3-4,7-9,11,16H,5-6,10,12-13H2,1-2H3/t16-/m0/s1
InChIKeyZCXXRQLTLAMMLB-INIZCTEOSA-N
XLogP2.69
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(6-methylpyrazin-2-yl)piperidin-1-yl]ethanone
CID 124998104
1-[(3R)-3-[5-(6-amino-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 92615962
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 127247124
2-(4-methyl-1,2,5-oxadiazol-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone
CID 125008288
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(1H-pyrazol-5-ylmethyl)piperidin-1-yl]ethanone
CID 124998993
1-[3-[5-(4-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl]piperidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 110128751
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(2R)-2-pyrimidin-4-ylpyrrolidin-1-yl]ethanone
CID 125021333
3-(3-methylpyrazol-1-yl)-1-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 125021719
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3R)-3-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124967892
(E)-1-[(3R)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]-3-phenylprop-2-en-1-one
CID 124952111
1-[(2R)-2-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-2-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 124953815
cyclobutyl-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]methanone
CID 110253739

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone (CID 125024089) is 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone is Cc1nccc([C@H]2CCCN(C(=O)Cc3c(C)nc4ccccn34)C2)n1.
What is the InChIKey of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
The InChIKey is ZCXXRQLTLAMMLB-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-18(25-11-4-3-7-19(25)22-14)12-20(26)24-10-5-6-16(13-24)17-8-9-21-15(2)23-17/h3-4,7-9,11,16H,5-6,10,12-13H2,1-2H3/t16-/m0/s1.
What are the key properties of 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone?
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone has a molecular weight of 349.44 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-[(3S)-3-(2-methylpyrimidin-4-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 125024089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).