N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide

C32H31N7O3 — CID 90256973

IUPACN-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide
SMILESCc1cccc(-n2c(=O)c(C(=O)Nc3ccc(-c4nc(-c5cccc(C(=O)N(C)C)c5)cnc4N)cc3)c(C)n2C)c1
InChIInChI=1S/C32H31N7O3/c1-19-8-6-11-25(16-19)39-32(42)27(20(2)38(39)5)30(40)35-24-14-12-21(13-15-24)28-29(33)34-18-26(36-28)22-9-7-10-23(17-22)31(41)37(3)4/h6-18H,1-5H3,(H2,33,34)(H,35,40)
InChIKeyDKVXVOXYQYAWKR-UHFFFAOYSA-N
MW561.65 g/mol
LogP4.45
Rot. Bonds6

About N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide

N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide (PubChem CID 90256973) has the molecular formula C32H31N7O3 and a molecular weight of 561.65 g/mol. Its IUPAC name is N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide
PubChem CID90256973
Molecular FormulaC32H31N7O3
Molecular Weight561.65 g/mol
Exact Mass561.25
IUPAC NameN-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide
SMILESCc1cccc(-n2c(=O)c(C(=O)Nc3ccc(-c4nc(-c5cccc(C(=O)N(C)C)c5)cnc4N)cc3)c(C)n2C)c1
InChIInChI=1S/C32H31N7O3/c1-19-8-6-11-25(16-19)39-32(42)27(20(2)38(39)5)30(40)35-24-14-12-21(13-15-24)28-29(33)34-18-26(36-28)22-9-7-10-23(17-22)31(41)37(3)4/h6-18H,1-5H3,(H2,33,34)(H,35,40)
InChIKeyDKVXVOXYQYAWKR-UHFFFAOYSA-N
XLogP4.45
TPSA128.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.65
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-(3-amino-6-pyridin-3-ylpyrazin-2-yl)phenyl]-1-(3-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 90256963
N-[4-[3-amino-6-[3-(pyrrolidin-2-ylmethoxy)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90257269
N-[4-[3-amino-6-[2-(3-fluoroazetidin-1-yl)-4-pyridinyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90256631
N-[4-[3-amino-6-(6-imidazol-1-yl-2-pyridinyl)pyrazin-2-yl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90257029
N-[4-[3-amino-6-[3-[3-[dimethyl(2-methylpropyl)silyl]oxy-2-hydroxypropoxy]phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90257144
N-[4-(3-amino-6-piperidin-1-ylpyrazin-2-yl)phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 66546510
N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide
CID 90256819
N-[6-[3-amino-6-[2-(3-methoxyazetidin-1-yl)-4-pyridinyl]pyrazin-2-yl]-3-pyridinyl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 90256654
N-[6-[3-amino-6-[1-(oxetan-3-yl)-1,2,4-triazol-3-yl]pyrazin-2-yl]-3-pyridinyl]-1-(2-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 90256874
3-[5-amino-6-(1,5-diphenyl-1,2,4-triazol-3-yl)pyrazin-2-yl]-N-benzylbenzamide
CID 68650987
N-(2-amino-3-pyridinyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90700662
N-(4-bromo-3-fluorophenyl)-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 59383942

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide?
The IUPAC name of N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide (CID 90256973) is N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide?
The canonical SMILES for N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide is Cc1cccc(-n2c(=O)c(C(=O)Nc3ccc(-c4nc(-c5cccc(C(=O)N(C)C)c5)cnc4N)cc3)c(C)n2C)c1.
What is the InChIKey of N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide?
The InChIKey is DKVXVOXYQYAWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H31N7O3/c1-19-8-6-11-25(16-19)39-32(42)27(20(2)38(39)5)30(40)35-24-14-12-21(13-15-24)28-29(33)34-18-26(36-28)22-9-7-10-23(17-22)31(41)37(3)4/h6-18H,1-5H3,(H2,33,34)(H,35,40).
What are the key properties of N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide?
N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide has a molecular weight of 561.65 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide is sourced from PubChem (CID 90256973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).