[3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone

C23H27ClN4O — CID 42196675

IUPAC[3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
SMILESCc1cccn2c(CN[C@@H](C)c3ccccc3Cl)c(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C23H27ClN4O/c1-16-9-8-14-28-20(15-25-17(2)18-10-4-5-11-19(18)24)21(26-22(16)28)23(29)27-12-6-3-7-13-27/h4-5,8-11,14,17,25H,3,6-7,12-13,15H2,1-2H3/t17-/m0/s1
InChIKeyQGSJCZRIJRKWSA-KRWDZBQOSA-N
MW410.95 g/mol
LogP4.77
Rot. Bonds5

About [3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone

[3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone (PubChem CID 42196675) has the molecular formula C23H27ClN4O and a molecular weight of 410.95 g/mol. Its IUPAC name is [3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
PubChem CID42196675
Molecular FormulaC23H27ClN4O
Molecular Weight410.95 g/mol
Exact Mass410.19
IUPAC Name[3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
SMILESCc1cccn2c(CN[C@@H](C)c3ccccc3Cl)c(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C23H27ClN4O/c1-16-9-8-14-28-20(15-25-17(2)18-10-4-5-11-19(18)24)21(26-22(16)28)23(29)27-12-6-3-7-13-27/h4-5,8-11,14,17,25H,3,6-7,12-13,15H2,1-2H3/t17-/m0/s1
InChIKeyQGSJCZRIJRKWSA-KRWDZBQOSA-N
XLogP4.77
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.95
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[[1-(2-chlorophenyl)ethylamino]methyl]imidazo[2,1-b][1,3]thiazol-6-yl]-pyrrolidin-1-ylmethanone
CID 45212751
[3-[[[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 26396904
[8-methyl-3-[[[(2S)-1-pyridin-3-ylpropan-2-yl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 26404280
[8-methyl-3-[(1-pyridin-3-ylpropan-2-ylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 45249556
methyl 2-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-4-methylsulfanylbutanoate
CID 45180585
[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56862032
[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56861689
[3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 26395566
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]ethanone
CID 60674362
1-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-2-carboxamide
CID 56879410
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81378766
azocan-1-yl-[6-chloro-3-[[[(1S)-1-(4-fluorophenyl)ethyl]amino]methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42098612

Frequently Asked Questions

What is the IUPAC name of [3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone (CID 42196675) is [3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone is Cc1cccn2c(CN[C@@H](C)c3ccccc3Cl)c(C(=O)N3CCCCC3)nc12.
What is the InChIKey of [3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is QGSJCZRIJRKWSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27ClN4O/c1-16-9-8-14-28-20(15-25-17(2)18-10-4-5-11-19(18)24)21(26-22(16)28)23(29)27-12-6-3-7-13-27/h4-5,8-11,14,17,25H,3,6-7,12-13,15H2,1-2H3/t17-/m0/s1.
What are the key properties of [3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
[3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 410.95 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 42196675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).