3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

C24H29N3O2 — CID 3311606

IUPAC3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCOc1cccc(C(CC(=O)N2CCC(C)CC2)c2cnc3cc(C)ccn23)c1
InChIInChI=1S/C24H29N3O2/c1-17-7-10-26(11-8-17)24(28)15-21(19-5-4-6-20(14-19)29-3)22-16-25-23-13-18(2)9-12-27(22)23/h4-6,9,12-14,16-17,21H,7-8,10-11,15H2,1-3H3
InChIKeyKMIXRGXAYLRVQP-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.43
Rot. Bonds5

About 3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one

3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 3311606) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID3311606
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCOc1cccc(C(CC(=O)N2CCC(C)CC2)c2cnc3cc(C)ccn23)c1
InChIInChI=1S/C24H29N3O2/c1-17-7-10-26(11-8-17)24(28)15-21(19-5-4-6-20(14-19)29-3)22-16-25-23-13-18(2)9-12-27(22)23/h4-6,9,12-14,16-17,21H,7-8,10-11,15H2,1-3H3
InChIKeyKMIXRGXAYLRVQP-UHFFFAOYSA-N
XLogP4.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)-3-[3-(trifluoromethyl)phenyl]propan-1-one
CID 4206782
(3S)-3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N-propan-2-ylpropanamide
CID 7332110
3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-N,N-dipropylpropanamide
CID 3460698
3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-(3-methylphenyl)propanoic acid
CID 42879887
(3R)-3-(3-methoxyphenyl)-3-[(5S)-5-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 93018653
1-[4-(3-chlorophenyl)piperazin-1-yl]-3-(3-fluorophenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 5043701
3-[1-[3-(7-methylimidazo[1,2-a]pyridin-3-yl)-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 4565425
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-(3-methoxyphenyl)-3-(8-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42783571
(3R)-3-(3-methoxyphenyl)-1-pyrrolidin-1-yl-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 93018951
(3S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 7332077
3-(3,5-dimethoxyphenyl)-N-(2-methoxyethyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 42784139
3-(3-fluorophenyl)-1-(4-methylpiperidin-1-yl)-3-(8-phenylmethoxyimidazo[1,2-a]pyridin-3-yl)propan-1-one
CID 42784065

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 3311606) is 3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is COc1cccc(C(CC(=O)N2CCC(C)CC2)c2cnc3cc(C)ccn23)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is KMIXRGXAYLRVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17-7-10-26(11-8-17)24(28)15-21(19-5-4-6-20(14-19)29-3)22-16-25-23-13-18(2)9-12-27(22)23/h4-6,9,12-14,16-17,21H,7-8,10-11,15H2,1-3H3.
What are the key properties of 3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one?
3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 391.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-3-(7-methylimidazo[1,2-a]pyridin-3-yl)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 3311606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).