methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate

C26H32N4O3 — CID 25287404

IUPACmethyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1
InChIInChI=1S/C26H32N4O3/c1-19-8-7-14-30-22(18-29-16-12-21(13-17-29)26(32)33-3)23(27-24(19)30)25(31)28(2)15-11-20-9-5-4-6-10-20/h4-10,14,21H,11-13,15-18H2,1-3H3
InChIKeyIFXOUFHOVIKBPP-UHFFFAOYSA-N
MW448.57 g/mol
LogP3.34
Rot. Bonds7

About methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate

methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate (PubChem CID 25287404) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
PubChem CID25287404
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Namemethyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1
InChIInChI=1S/C26H32N4O3/c1-19-8-7-14-30-22(18-29-16-12-21(13-17-29)26(32)33-3)23(27-24(19)30)25(31)28(2)15-11-20-9-5-4-6-10-20/h4-10,14,21H,11-13,15-18H2,1-3H3
InChIKeyIFXOUFHOVIKBPP-UHFFFAOYSA-N
XLogP3.34
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate with MolForge

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Related Compounds

3-[[2-hydroxyethyl(methyl)amino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56918888
3-[[[(2S)-1-amino-1-oxopropan-2-yl]-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95555697
3-[[(1-amino-1-oxopropan-2-yl)-methylamino]methyl]-N,8-dimethyl-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 56876006
5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56880789
5-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56863269
N,8-dimethyl-3-[[methyl-[(3-methyl-4-pyridinyl)methyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42596863
N-benzyl-3-[(4-carbamoylpiperidin-1-yl)methyl]-N-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 56715082
N-methyl-5-(morpholin-4-ylmethyl)-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 56869710
N,8-dimethyl-3-[[methyl-[(1R)-1-(1,2-oxazol-3-yl)ethyl]amino]methyl]-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 95226148
3-[(4-acetylpiperazin-1-yl)methyl]-8-methylimidazo[1,2-a]pyridine-2-carboxylic acid
CID 39122257
[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-8-methylimidazo[1,2-a]pyridin-2-yl]-piperidin-1-ylmethanone
CID 56861689
5-[[(3R)-3,4-dimethylpiperazin-1-yl]methyl]-N-methyl-N-(2-phenylethyl)imidazo[2,1-b][1,3]thiazole-6-carboxamide
CID 95558896

Frequently Asked Questions

What is the IUPAC name of methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate (CID 25287404) is methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate is COC(=O)C1CCN(Cc2c(C(=O)N(C)CCc3ccccc3)nc3c(C)cccn23)CC1.
What is the InChIKey of methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
The InChIKey is IFXOUFHOVIKBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-19-8-7-14-30-22(18-29-16-12-21(13-17-29)26(32)33-3)23(27-24(19)30)25(31)28(2)15-11-20-9-5-4-6-10-20/h4-10,14,21H,11-13,15-18H2,1-3H3.
What are the key properties of methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate?
methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate has a molecular weight of 448.57 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[8-methyl-2-[methyl(2-phenylethyl)carbamoyl]imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 25287404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).