6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide

C39H44ClN7O4 — CID 123591318

IUPAC6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cn4cc(Cl)ccc4n3)cc2C(=O)N2Cc3ccccc3CC2CCO)n1
InChIInChI=1S/C39H44ClN7O4/c1-4-6-17-44(18-7-5-2)39(51)33-20-26(3)47(43-33)35-14-13-30(41-37(49)34-25-45-24-29(40)12-15-36(45)42-34)22-32(35)38(50)46-23-28-11-9-8-10-27(28)21-31(46)16-19-48/h8-15,20,22,24-25,31,48H,4-7,16-19,21,23H2,1-3H3,(H,41,49)
InChIKeyOYMQOPDFRQOUJD-UHFFFAOYSA-N
MW710.28 g/mol
LogP6.73
Rot. Bonds13

About 6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide

6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 123591318) has the molecular formula C39H44ClN7O4 and a molecular weight of 710.28 g/mol. Its IUPAC name is 6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
PubChem CID123591318
Molecular FormulaC39H44ClN7O4
Molecular Weight710.28 g/mol
Exact Mass709.31
IUPAC Name6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
SMILESCCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cn4cc(Cl)ccc4n3)cc2C(=O)N2Cc3ccccc3CC2CCO)n1
InChIInChI=1S/C39H44ClN7O4/c1-4-6-17-44(18-7-5-2)39(51)33-20-26(3)47(43-33)35-14-13-30(41-37(49)34-25-45-24-29(40)12-15-36(45)42-34)22-32(35)38(50)46-23-28-11-9-8-10-27(28)21-31(46)16-19-48/h8-15,20,22,24-25,31,48H,4-7,16-19,21,23H2,1-3H3,(H,41,49)
InChIKeyOYMQOPDFRQOUJD-UHFFFAOYSA-N
XLogP6.73
TPSA125.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.28
LogP ≤ 56.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]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-[2-fluoro-5-[(1-hydroxy-3-phenylpropan-2-yl)carbamoyl]phenyl]-7-(2-methylpyrazol-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 123417225
6-[4-[5-[4-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]piperazin-1-yl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 176558762
6-[4-[5-[4-[1-[5-Chloro-6-methyl-4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyridine-2-carbonyl]-3,3-difluoropiperidin-4-yl]piperazin-1-yl]pent-1-en-2-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methoxycyclobutane
CID 176558964
6-[4-[5-[[9-[4-chloro-3-(2,4-dioxo-1,3-diazinan-1-yl)benzoyl]-5,5-difluoro-3,9-diazaspiro[5.5]undecan-3-yl]methyl]-2-pyridinyl]-2,3-dihydroindol-1-yl]-N-cyclobutyl-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;methanol
CID 176559427
8-chloro-N-[1-[1-[2-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 171677266
6-[4-[5-[4-[1-[5-Chloro-6-methyl-4-(4-methylidene-2-oxo-1,3-diazinan-1-yl)pyridine-2-carbonyl]-3,3-difluoropiperidin-4-yl]piperazin-1-yl]pent-1-en-2-yl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 176558965
N-{[6-chloro-2-(3,4-dihydro-2(1H)-isoquinolinylcarbonyl)imidazo[1,2-a]pyridin-3-yl]methyl}-3-(1H-pyrazol-1-yl)-1-propanamine
CID 42596232
[6-chloro-3-[(2-pyrazol-1-ylethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 45188366
3-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-8-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]-2-pyridin-2-ylimidazo[1,2-a]pyridine-3,8-dicarboxamide
CID 59588356
N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 71611115
N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 71612215
6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[(3S)-3-(hydroxymethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 71612340

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide (CID 123591318) is 6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide is CCCCN(CCCC)C(=O)c1cc(C)n(-c2ccc(NC(=O)c3cn4cc(Cl)ccc4n3)cc2C(=O)N2Cc3ccccc3CC2CCO)n1.
What is the InChIKey of 6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is OYMQOPDFRQOUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H44ClN7O4/c1-4-6-17-44(18-7-5-2)39(51)33-20-26(3)47(43-33)35-14-13-30(41-37(49)34-25-45-24-29(40)12-15-36(45)42-34)22-32(35)38(50)46-23-28-11-9-8-10-27(28)21-31(46)16-19-48/h8-15,20,22,24-25,31,48H,4-7,16-19,21,23H2,1-3H3,(H,41,49).
What are the key properties of 6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide?
6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 710.28 g/mol, XLogP of 6.73, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[4-[3-(dibutylcarbamoyl)-5-methylpyrazol-1-yl]-3-[3-(2-hydroxyethyl)-3,4-dihydro-1H-isoquinoline-2-carbonyl]phenyl]imidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 123591318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).