6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide

C26H24F2N4O2 — CID 138634470

IUPAC6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cn2cc(-c3cc(F)cc(F)c3)ccc2n1
InChIInChI=1S/C26H24F2N4O2/c27-21-9-20(10-22(28)11-21)19-5-6-25-30-24(16-32(25)14-19)26(34)29-12-23(33)15-31-8-7-17-3-1-2-4-18(17)13-31/h1-6,9-11,14,16,23,33H,7-8,12-13,15H2,(H,29,34)/t23-/m0/s1
InChIKeyBVIWNHNJDSQHAM-QHCPKHFHSA-N
MW462.50 g/mol
LogP3.43
Rot. Bonds6

About 6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide

6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 138634470) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID138634470
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESO=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cn2cc(-c3cc(F)cc(F)c3)ccc2n1
InChIInChI=1S/C26H24F2N4O2/c27-21-9-20(10-22(28)11-21)19-5-6-25-30-24(16-32(25)14-19)26(34)29-12-23(33)15-31-8-7-17-3-1-2-4-18(17)13-31/h1-6,9-11,14,16,23,33H,7-8,12-13,15H2,(H,29,34)/t23-/m0/s1
InChIKeyBVIWNHNJDSQHAM-QHCPKHFHSA-N
XLogP3.43
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-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-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(1-methyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 138663773
6-(difluoromethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634515
6-bromo-N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634378
N-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-propan-2-ylimidazo[1,2-a]pyridine-2-carboxamide
CID 138664084
6-(1,1-difluoroethyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 154698469
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-[(2-fluorobenzoyl)amino]imidazo[1,2-a]pyridine-2-carboxamide
CID 138646158
methyl 2-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]carbamoyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 138663498
6-[1-(1-acetylaziridin-2-yl)pyrazol-4-yl]-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 165172947
6-(azetidine-1-carbonyl)-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634459
N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-a]pyridine-2-carboxamide
CID 138634556
6-[1-(1-acetylazetidin-3-yl)pyrazol-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634527
6-(4-cyanoanilino)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 138634388

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 138634470) is 6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide is O=C(NC[C@H](O)CN1CCc2ccccc2C1)c1cn2cc(-c3cc(F)cc(F)c3)ccc2n1.
What is the InChIKey of 6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is BVIWNHNJDSQHAM-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c27-21-9-20(10-22(28)11-21)19-5-6-25-30-24(16-32(25)14-19)26(34)29-12-23(33)15-31-8-7-17-3-1-2-4-18(17)13-31/h1-6,9-11,14,16,23,33H,7-8,12-13,15H2,(H,29,34)/t23-/m0/s1.
What are the key properties of 6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 462.50 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-difluorophenyl)-N-[(2S)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 138634470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).