N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide

C30H24Cl2N6O3 — CID 154055540

IUPACN-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1)c1cnc2ccccc2n1
InChIInChI=1S/C30H24Cl2N6O3/c31-21-11-8-17(12-22(21)32)15-34-30(41)38-27(18-4-3-5-18)14-25(37-38)20-10-9-19(13-28(20)39)35-29(40)26-16-33-23-6-1-2-7-24(23)36-26/h1-2,6-14,16,18,39H,3-5,15H2,(H,34,41)(H,35,40)
InChIKeyGAAPPRUHULMQSI-UHFFFAOYSA-N
MW587.47 g/mol
LogP6.78
Rot. Bonds6

About N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide

N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide (PubChem CID 154055540) has the molecular formula C30H24Cl2N6O3 and a molecular weight of 587.47 g/mol. Its IUPAC name is N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide
PubChem CID154055540
Molecular FormulaC30H24Cl2N6O3
Molecular Weight587.47 g/mol
Exact Mass586.13
IUPAC NameN-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1)c1cnc2ccccc2n1
InChIInChI=1S/C30H24Cl2N6O3/c31-21-11-8-17(12-22(21)32)15-34-30(41)38-27(18-4-3-5-18)14-25(37-38)20-10-9-19(13-28(20)39)35-29(40)26-16-33-23-6-1-2-7-24(23)36-26/h1-2,6-14,16,18,39H,3-5,15H2,(H,34,41)(H,35,40)
InChIKeyGAAPPRUHULMQSI-UHFFFAOYSA-N
XLogP6.78
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.47
LogP ≤ 56.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-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-[4-[5-cyclopropyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide
CID 154055574
5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]-3-[4-[(4-ethylbenzoyl)amino]-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055851
N-[3-[5-cyclopropyl-1-[(4-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide
CID 154054563
N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055470
3-[5-[(4-tert-butylbenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(3,4-dichlorophenyl)methyl]pyrazole-1-carboxamide
CID 154054937
N-[3-[1-(butan-2-ylcarbamoyl)-5-cyclopentylpyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(2-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(3-fluorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide;N-[3-[5-cyclopentyl-1-[(4-methoxyphenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]quinoxaline-2-carboxamide
CID 173219641
3-[4-[(4-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutyl-N-[(4-methylphenyl)methyl]pyrazole-1-carboxamide
CID 154056019
N-[3-[5-cyclopentyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-4-hydroxyphenyl]-1,2-oxazole-5-carboxamide
CID 154054277
N-benzyl-3-[5-[(2-chlorobenzoyl)amino]-2-hydroxyphenyl]-5-cyclobutylpyrazole-1-carboxamide
CID 154055185
N-benzyl-5-cyclobutyl-3-[4-(furan-2-carbonylamino)-2-hydroxyphenyl]pyrazole-1-carboxamide
CID 154055651
2-chloro-N-[4-[1-[(2-chlorophenyl)methylcarbamoyl]-5-cyclobutylpyrazol-3-yl]-3-hydroxyphenyl]pyridine-3-carboxamide
CID 154055358
5-cyclobutyl-3-[2-hydroxy-4-[(2-methoxybenzoyl)amino]phenyl]-N-[(4-methoxyphenyl)methyl]pyrazole-1-carboxamide
CID 154056141

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide (CID 154055540) is N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide is O=C(Nc1ccc(-c2cc(C3CCC3)n(C(=O)NCc3ccc(Cl)c(Cl)c3)n2)c(O)c1)c1cnc2ccccc2n1.
What is the InChIKey of N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide?
The InChIKey is GAAPPRUHULMQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24Cl2N6O3/c31-21-11-8-17(12-22(21)32)15-34-30(41)38-27(18-4-3-5-18)14-25(37-38)20-10-9-19(13-28(20)39)35-29(40)26-16-33-23-6-1-2-7-24(23)36-26/h1-2,6-14,16,18,39H,3-5,15H2,(H,34,41)(H,35,40).
What are the key properties of N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide?
N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide has a molecular weight of 587.47 g/mol, XLogP of 6.78, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-cyclobutyl-1-[(3,4-dichlorophenyl)methylcarbamoyl]pyrazol-3-yl]-3-hydroxyphenyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 154055540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).