[3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone

C21H28N6O — CID 26395566

IUPAC[3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
SMILESCc1cccn2c(CNCCCn3ccnc3)c(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C21H28N6O/c1-17-7-5-13-27-18(15-22-8-6-10-25-14-9-23-16-25)19(24-20(17)27)21(28)26-11-3-2-4-12-26/h5,7,9,13-14,16,22H,2-4,6,8,10-12,15H2,1H3
InChIKeyHILLTQCXXZHJKQ-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.65
Rot. Bonds7

About [3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone

[3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone (PubChem CID 26395566) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is [3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
PubChem CID26395566
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name[3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
SMILESCc1cccn2c(CNCCCn3ccnc3)c(C(=O)N3CCCCC3)nc12
InChIInChI=1S/C21H28N6O/c1-17-7-5-13-27-18(15-22-8-6-10-25-14-9-23-16-25)19(24-20(17)27)21(28)26-11-3-2-4-12-26/h5,7,9,13-14,16,22H,2-4,6,8,10-12,15H2,1H3
InChIKeyHILLTQCXXZHJKQ-UHFFFAOYSA-N
XLogP2.65
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[3-[[[(1S)-1-(2-chlorophenyl)ethyl]amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 42196675
[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
[8-methyl-3-[[methyl(propan-2-yl)amino]methyl]imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56862032
[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
methyl 2-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methylamino]-4-methylsulfanylbutanoate
CID 45180585
3-imidazol-1-yl-N-[(2-methylphenyl)methyl]propan-1-amine;oxalic acid
CID 17052939
1-[[8-methyl-2-(piperidine-1-carbonyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-2-carboxamide
CID 56879410
[8-methyl-3-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylmethyl)imidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56863882
azocan-1-yl-[6-chloro-3-[(2-pyrazol-1-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 42591908
[3-[[(2,2-dimethyloxan-4-yl)amino]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-morpholin-4-ylmethanone
CID 45209587
azocan-1-yl-[5-[(2-methylsulfanylethylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]methanone
CID 45176633

Frequently Asked Questions

What is the IUPAC name of [3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone (CID 26395566) is [3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone is Cc1cccn2c(CNCCCn3ccnc3)c(C(=O)N3CCCCC3)nc12.
What is the InChIKey of [3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is HILLTQCXXZHJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-17-7-5-13-27-18(15-22-8-6-10-25-14-9-23-16-25)19(24-20(17)27)21(28)26-11-3-2-4-12-26/h5,7,9,13-14,16,22H,2-4,6,8,10-12,15H2,1H3.
What are the key properties of [3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone?
[3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 380.50 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-imidazol-1-ylpropylamino)methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 26395566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).