(2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide

C25H31N5O3 — CID 124968588

IUPAC(2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3cn4cc(C)ccc4n3)CCN2C)cc1C
InChIInChI=1S/C25H31N5O3/c1-17-5-8-23-27-20(15-30(23)14-17)25(32)29-12-11-28(3)21(16-29)24(31)26-10-9-19-6-7-22(33-4)18(2)13-19/h5-8,13-15,21H,9-12,16H2,1-4H3,(H,26,31)/t21-/m1/s1
InChIKeyJCFFYBLTTQNTTE-OAQYLSRUSA-N
MW449.56 g/mol
LogP2.07
Rot. Bonds6

About (2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide

(2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide (PubChem CID 124968588) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is (2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide
PubChem CID124968588
Molecular FormulaC25H31N5O3
Molecular Weight449.56 g/mol
Exact Mass449.24
IUPAC Name(2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide
SMILESCOc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3cn4cc(C)ccc4n3)CCN2C)cc1C
InChIInChI=1S/C25H31N5O3/c1-17-5-8-23-27-20(15-30(23)14-17)25(32)29-12-11-28(3)21(16-29)24(31)26-10-9-19-6-7-22(33-4)18(2)13-19/h5-8,13-15,21H,9-12,16H2,1-4H3,(H,26,31)/t21-/m1/s1
InChIKeyJCFFYBLTTQNTTE-OAQYLSRUSA-N
XLogP2.07
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-[2-(3-methyl-6-oxopyridazin-1-yl)acetyl]piperazine-2-carboxamide
CID 124999176
(6-methylimidazo[1,2-a]pyridin-2-yl)-[4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 46957325
(2S)-N-[2-(2,4-dimethylphenoxy)ethyl]-4-(1-ethylpyrazole-3-carbonyl)-1-methylpiperazine-2-carboxamide
CID 124966205
N-[2-(4-methoxy-3-methylphenyl)ethyl]oxolane-2-carboxamide
CID 110787404
[6-[2-(3,4-dimethoxyphenyl)ethylamino]-2-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367043
N-[2-(4-methoxy-3-methylphenyl)ethyl]-2-oxopropanamide
CID 115175869
1-amino-N-[2-(4-methoxy-3-methylphenyl)ethyl]cyclopropane-1-carboxamide
CID 115189923
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107031
3-[2-(4-methoxy-3-methylphenyl)ethylamino]-3-oxopropanoic acid
CID 115163503
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145625
6-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 42690144
propyl N-[2-(4-methoxy-3-methylphenyl)ethyl]carbamate
CID 23563495

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide (CID 124968588) is (2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide is COc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3cn4cc(C)ccc4n3)CCN2C)cc1C.
What is the InChIKey of (2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide?
The InChIKey is JCFFYBLTTQNTTE-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-17-5-8-23-27-20(15-30(23)14-17)25(32)29-12-11-28(3)21(16-29)24(31)26-10-9-19-6-7-22(33-4)18(2)13-19/h5-8,13-15,21H,9-12,16H2,1-4H3,(H,26,31)/t21-/m1/s1.
What are the key properties of (2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide?
(2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide has a molecular weight of 449.56 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(4-methoxy-3-methylphenyl)ethyl]-1-methyl-4-(6-methylimidazo[1,2-a]pyridine-2-carbonyl)piperazine-2-carboxamide is sourced from PubChem (CID 124968588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).