3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid

C27H32N4O3 — CID 23875749

IUPAC3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(CC(=O)O)NC(=O)c2ccn3c(NC4CCCCC4)c(C4CC4)nc3c2)cc1
InChIInChI=1S/C27H32N4O3/c1-17-7-9-18(10-8-17)22(16-24(32)33)29-27(34)20-13-14-31-23(15-20)30-25(19-11-12-19)26(31)28-21-5-3-2-4-6-21/h7-10,13-15,19,21-22,28H,2-6,11-12,16H2,1H3,(H,29,34)(H,32,33)
InChIKeyLTIKMBXWTKBRHP-UHFFFAOYSA-N
MW460.58 g/mol
LogP5.21
Rot. Bonds8

About 3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid

3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid (PubChem CID 23875749) has the molecular formula C27H32N4O3 and a molecular weight of 460.58 g/mol. Its IUPAC name is 3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid.

Molecular Properties

Compound Name3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
PubChem CID23875749
Molecular FormulaC27H32N4O3
Molecular Weight460.58 g/mol
Exact Mass460.25
IUPAC Name3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
SMILESCc1ccc(C(CC(=O)O)NC(=O)c2ccn3c(NC4CCCCC4)c(C4CC4)nc3c2)cc1
InChIInChI=1S/C27H32N4O3/c1-17-7-9-18(10-8-17)22(16-24(32)33)29-27(34)20-13-14-31-23(15-20)30-25(19-11-12-19)26(31)28-21-5-3-2-4-6-21/h7-10,13-15,19,21-22,28H,2-6,11-12,16H2,1H3,(H,29,34)(H,32,33)
InChIKeyLTIKMBXWTKBRHP-UHFFFAOYSA-N
XLogP5.21
TPSA95.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.58
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid with MolForge

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Related Compounds

2-[[2-cyclohex-3-en-1-yl-3-(cyclohexylamino)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-phenylpropanoic acid
CID 23766584
2-[[3-(cyclohexylamino)-2-ethylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-methylpentanoic acid
CID 23818934
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
3-[[3-(benzylamino)-2-(4-cyanophenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid
CID 23936532
2-[[3-(cyclohexylamino)-2-(3-nitrophenyl)imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-phenylpropanoic acid
CID 23908964
3-[[3-(benzylamino)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyridine-7-carbonyl]amino]-3-cyclohexylpropanoic acid
CID 23821919
3-[[3-(cyclohexanecarbonylamino)-4-(4-methoxycarbonylpiperazin-1-yl)benzoyl]amino]-3-(4-methylphenyl)propanoic acid
CID 23993375
N,2-dicyclohexylimidazo[1,2-a]pyrazin-3-amine
CID 138535553
2-cyclohexyl-3-(cyclohexylamino)imidazo[1,2-a]pyridine-6-carboxamide
CID 11035219
[4-[3-(cyclohexylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl] octanoate
CID 3381982
N-cyclohexyl-7-methyl-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 808952
3-[(3,5-dimethoxybenzoyl)amino]-3-(4-methylphenyl)propanoic acid
CID 45432205

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid?
The IUPAC name of 3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid (CID 23875749) is 3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid.
What is the SMILES notation for 3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid?
The canonical SMILES for 3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid is Cc1ccc(C(CC(=O)O)NC(=O)c2ccn3c(NC4CCCCC4)c(C4CC4)nc3c2)cc1.
What is the InChIKey of 3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid?
The InChIKey is LTIKMBXWTKBRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O3/c1-17-7-9-18(10-8-17)22(16-24(32)33)29-27(34)20-13-14-31-23(15-20)30-25(19-11-12-19)26(31)28-21-5-3-2-4-6-21/h7-10,13-15,19,21-22,28H,2-6,11-12,16H2,1H3,(H,29,34)(H,32,33).
What are the key properties of 3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid?
3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid has a molecular weight of 460.58 g/mol, XLogP of 5.21, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(cyclohexylamino)-2-cyclopropylimidazo[1,2-a]pyridine-7-carbonyl]amino]-3-(4-methylphenyl)propanoic acid is sourced from PubChem (CID 23875749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).