2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid

C29H32N4O5 — CID 23906157

IUPAC2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccn2c(NCc3ccccc3)c(-c3ccc(OC)c(OC)c3)nc2c1)C(=O)O
InChIInChI=1S/C29H32N4O5/c1-5-18(2)25(29(35)36)32-28(34)21-13-14-33-24(16-21)31-26(20-11-12-22(37-3)23(15-20)38-4)27(33)30-17-19-9-7-6-8-10-19/h6-16,18,25,30H,5,17H2,1-4H3,(H,32,34)(H,35,36)
InChIKeyVMBSGFUVDQOARX-UHFFFAOYSA-N
MW516.60 g/mol
LogP4.86
Rot. Bonds11

About 2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid

2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid (PubChem CID 23906157) has the molecular formula C29H32N4O5 and a molecular weight of 516.60 g/mol. Its IUPAC name is 2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
PubChem CID23906157
Molecular FormulaC29H32N4O5
Molecular Weight516.60 g/mol
Exact Mass516.24
IUPAC Name2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)c1ccn2c(NCc3ccccc3)c(-c3ccc(OC)c(OC)c3)nc2c1)C(=O)O
InChIInChI=1S/C29H32N4O5/c1-5-18(2)25(29(35)36)32-28(34)21-13-14-33-24(16-21)31-26(20-11-12-22(37-3)23(15-20)38-4)27(33)30-17-19-9-7-6-8-10-19/h6-16,18,25,30H,5,17H2,1-4H3,(H,32,34)(H,35,36)
InChIKeyVMBSGFUVDQOARX-UHFFFAOYSA-N
XLogP4.86
TPSA114.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.60
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid with MolForge

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Related Compounds

2-[[2-(4-methoxycarbonylphenyl)-3-[(2-methoxy-2-oxoethyl)amino]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
CID 23962066
2-[[3-[(2-ethoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
CID 23935948
2-[[3-(tert-butylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
CID 23994341
3-[[3-(benzylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 23936532
(2S,3S)-2-[(4-methoxy-3-pyridin-2-ylbenzoyl)amino]-3-methylpentanoic acid
CID 120517382
2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
CID 23818934
2-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]-3-methylpentanoic acid
CID 82032865
[2-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] benzoate
CID 3593940
3-[[3-[(2-methoxy-2-oxoethyl)amino]-2-(3-methylphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 23989597
(2S)-2-[[3-(methoxymethyl)benzoyl]amino]-3-methylpentanoic acid
CID 61172026
[3-[3-(benzylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] 3,5,5-trimethylhexanoate
CID 42743438
methyl 3-(benzylamino)-2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]-3-methoxyphenyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 170937637

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The IUPAC name of 2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid (CID 23906157) is 2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)c1ccn2c(NCc3ccccc3)c(-c3ccc(OC)c(OC)c3)nc2c1)C(=O)O.
What is the InChIKey of 2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
The InChIKey is VMBSGFUVDQOARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O5/c1-5-18(2)25(29(35)36)32-28(34)21-13-14-33-24(16-21)31-26(20-11-12-22(37-3)23(15-20)38-4)27(33)30-17-19-9-7-6-8-10-19/h6-16,18,25,30H,5,17H2,1-4H3,(H,32,34)(H,35,36).
What are the key properties of 2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid?
2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid has a molecular weight of 516.60 g/mol, XLogP of 4.86, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(benzylamino)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid is sourced from PubChem (CID 23906157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).