2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide

C33H35FN4O2 — CID 91559223

IUPAC2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC=CC=C(CC)C1(NC(OC)c2cccc(-c3ccc4nc(-c5ccc(F)cc5)c(C(=O)NC)n4c3)c2)CC1
InChIInChI=1S/C33H35FN4O2/c1-5-7-11-26(6-2)33(18-19-33)37-32(40-4)24-10-8-9-23(20-24)25-14-17-28-36-29(22-12-15-27(34)16-13-22)30(31(39)35-3)38(28)21-25/h5,7-17,20-21,32,37H,6,18-19H2,1-4H3,(H,35,39)
InChIKeyAMIXGGRUASGJSG-UHFFFAOYSA-N
MW538.67 g/mol
LogP6.85
Rot. Bonds10

About 2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide

2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 91559223) has the molecular formula C33H35FN4O2 and a molecular weight of 538.67 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID91559223
Molecular FormulaC33H35FN4O2
Molecular Weight538.67 g/mol
Exact Mass538.27
IUPAC Name2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCC=CC=C(CC)C1(NC(OC)c2cccc(-c3ccc4nc(-c5ccc(F)cc5)c(C(=O)NC)n4c3)c2)CC1
InChIInChI=1S/C33H35FN4O2/c1-5-7-11-26(6-2)33(18-19-33)37-32(40-4)24-10-8-9-23(20-24)25-14-17-28-36-29(22-12-15-27(34)16-13-22)30(31(39)35-3)38(28)21-25/h5,7-17,20-21,32,37H,6,18-19H2,1-4H3,(H,35,39)
InChIKeyAMIXGGRUASGJSG-UHFFFAOYSA-N
XLogP6.85
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.67
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-fluorophenyl)-3-[6-(3-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 83288500
6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 59233686
N-(1-hydroxybutan-2-yl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84556389
6-(4-fluorophenyl)-N-methyl-2-[3-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 71572034
1-[4-[[2-(4-fluorophenyl)-6-(3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83286730
1-[4-[[6-(3-chlorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 83279820
2-[(4-fluorophenyl)methyl]-6-[3-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 67217154
2-(4-fluorocyclohexa-1,3-dien-1-yl)-N-methyl-6-[3-(2-methylpropylcarbamoyl)-4-pyridin-3-ylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 70909685
methyl 2-(4-fluorophenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 11807750
[4-[[6-(3-ethoxyphenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-phenylmethanone
CID 83282490
N-(2-ethylphenyl)-6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 84554895
2-(4-fluorophenyl)-N,7-dimethyl-6-[2-methyl-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 59233804

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 91559223) is 2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide is CC=CC=C(CC)C1(NC(OC)c2cccc(-c3ccc4nc(-c5ccc(F)cc5)c(C(=O)NC)n4c3)c2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is AMIXGGRUASGJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN4O2/c1-5-7-11-26(6-2)33(18-19-33)37-32(40-4)24-10-8-9-23(20-24)25-14-17-28-36-29(22-12-15-27(34)16-13-22)30(31(39)35-3)38(28)21-25/h5,7-17,20-21,32,37H,6,18-19H2,1-4H3,(H,35,39).
What are the key properties of 2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 538.67 g/mol, XLogP of 6.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-[3-[[(1-hepta-3,5-dien-3-ylcyclopropyl)amino]-methoxymethyl]phenyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 91559223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).