N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide

C29H26Cl2N10O3 — CID 90256876

IUPACN-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-c3nc(-c4cncc(N5CCOCC5)n4)cnc3N)nc2)c(=O)n(-c2cc(Cl)ccc2Cl)n1C
InChIInChI=1S/C29H26Cl2N10O3/c1-16-25(29(43)41(39(16)2)23-11-17(30)3-5-19(23)31)28(42)36-18-4-6-20(34-12-18)26-27(32)35-14-22(38-26)21-13-33-15-24(37-21)40-7-9-44-10-8-40/h3-6,11-15H,7-10H2,1-2H3,(H2,32,35)(H,36,42)
InChIKeyLXCYLLAROLLNIE-UHFFFAOYSA-N
MW633.50 g/mol
LogP3.77
Rot. Bonds6

About N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide

N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide (PubChem CID 90256876) has the molecular formula C29H26Cl2N10O3 and a molecular weight of 633.50 g/mol. Its IUPAC name is N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
PubChem CID90256876
Molecular FormulaC29H26Cl2N10O3
Molecular Weight633.50 g/mol
Exact Mass632.16
IUPAC NameN-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-c3nc(-c4cncc(N5CCOCC5)n4)cnc3N)nc2)c(=O)n(-c2cc(Cl)ccc2Cl)n1C
InChIInChI=1S/C29H26Cl2N10O3/c1-16-25(29(43)41(39(16)2)23-11-17(30)3-5-19(23)31)28(42)36-18-4-6-20(34-12-18)26-27(32)35-14-22(38-26)21-13-33-15-24(37-21)40-7-9-44-10-8-40/h3-6,11-15H,7-10H2,1-2H3,(H2,32,35)(H,36,42)
InChIKeyLXCYLLAROLLNIE-UHFFFAOYSA-N
XLogP3.77
TPSA158.97 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.50
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide with MolForge

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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-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-[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
5-methyl-N-[4-methyl-3-(6-morpholin-4-ylpyrazin-2-yl)phenyl]pyridazine-3-carboxamide
CID 177153123
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
2-(2,5-dichlorophenoxy)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide
CID 34444546
5-bromo-2-chloro-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 34442516
N-(3,4-dichlorophenyl)-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365492
N-[4-[3-amino-6-[3-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide
CID 90256973
2-methyl-N-(6-morpholin-4-yl-3-pyridinyl)quinoline-3-carboxamide
CID 86915804
3-(2-aminoquinazolin-6-yl)-4-methyl-N-(6-morpholin-4-yl-3-pyridinyl)benzamide
CID 58829523

Frequently Asked Questions

What is the IUPAC name of N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The IUPAC name of N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide (CID 90256876) is N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide.
What is the SMILES notation for N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The canonical SMILES for N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(-c3nc(-c4cncc(N5CCOCC5)n4)cnc3N)nc2)c(=O)n(-c2cc(Cl)ccc2Cl)n1C.
What is the InChIKey of N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
The InChIKey is LXCYLLAROLLNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N10O3/c1-16-25(29(43)41(39(16)2)23-11-17(30)3-5-19(23)31)28(42)36-18-4-6-20(34-12-18)26-27(32)35-14-22(38-26)21-13-33-15-24(37-21)40-7-9-44-10-8-40/h3-6,11-15H,7-10H2,1-2H3,(H2,32,35)(H,36,42).
What are the key properties of N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide?
N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide has a molecular weight of 633.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[3-amino-6-(6-morpholin-4-ylpyrazin-2-yl)pyrazin-2-yl]-3-pyridinyl]-1-(2,5-dichlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide is sourced from PubChem (CID 90256876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).