N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide

C35H37N7O3 — CID 90256819

IUPACN-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide
SMILESCCCn1c(C)c(C(=O)Nc2ccc(-c3nc(-c4ccc(CN5CCOCC5)cc4)cnc3N)cc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C35H37N7O3/c1-3-17-41-24(2)31(35(44)42(41)29-7-5-4-6-8-29)34(43)38-28-15-13-27(14-16-28)32-33(36)37-22-30(39-32)26-11-9-25(10-12-26)23-40-18-20-45-21-19-40/h4-16,22H,3,17-21,23H2,1-2H3,(H2,36,37)(H,38,43)
InChIKeyPGORXHDFBYFQFE-UHFFFAOYSA-N
MW603.73 g/mol
LogP5.15
Rot. Bonds9

About N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide

N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide (PubChem CID 90256819) has the molecular formula C35H37N7O3 and a molecular weight of 603.73 g/mol. Its IUPAC name is N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide
PubChem CID90256819
Molecular FormulaC35H37N7O3
Molecular Weight603.73 g/mol
Exact Mass603.30
IUPAC NameN-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide
SMILESCCCn1c(C)c(C(=O)Nc2ccc(-c3nc(-c4ccc(CN5CCOCC5)cc4)cnc3N)cc2)c(=O)n1-c1ccccc1
InChIInChI=1S/C35H37N7O3/c1-3-17-41-24(2)31(35(44)42(41)29-7-5-4-6-8-29)34(43)38-28-15-13-27(14-16-28)32-33(36)37-22-30(39-32)26-11-9-25(10-12-26)23-40-18-20-45-21-19-40/h4-16,22H,3,17-21,23H2,1-2H3,(H2,36,37)(H,38,43)
InChIKeyPGORXHDFBYFQFE-UHFFFAOYSA-N
XLogP5.15
TPSA120.30 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.73
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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-[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-pyridin-3-ylpyrazin-2-yl)phenyl]-1-(3-chlorophenyl)-2,3-dimethyl-5-oxopyrazole-4-carboxamide
CID 90256963
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-(dimethylcarbamoyl)phenyl]pyrazin-2-yl]phenyl]-1,5-dimethyl-2-(3-methylphenyl)-3-oxopyrazole-4-carboxamide
CID 90256973
[2-[4-(morpholin-4-ylmethyl)anilino]-2-oxoethyl] 3-methyl-2-phenylquinoline-4-carboxylate
CID 24518314
3-(2-chlorophenyl)-5-methyl-N-[4-(morpholin-4-ylmethyl)phenyl]-1,2-oxazole-4-carboxamide
CID 112796045
N-[4-[2-amino-5-(4-methoxyphenyl)-3-pyridinyl]phenyl]-1-(2-hydroxy-2-methylpropyl)-5-methyl-3-oxo-2-phenylpyrazole-4-carboxamide
CID 90256822
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
N-[4-(morpholin-4-ylmethyl)phenyl]naphthalene-1-carboxamide
CID 851463
4-methyl-N-[4-(1,4-oxazepan-4-ylmethyl)phenyl]benzamide
CID 166858230
2-(2-ethoxyphenoxy)-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 108754559

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide?
The IUPAC name of 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) is N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide is CCCn1c(C)c(C(=O)Nc2ccc(-c3nc(-c4ccc(CN5CCOCC5)cc4)cnc3N)cc2)c(=O)n1-c1ccccc1.
What is the InChIKey of N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide?
The InChIKey is PGORXHDFBYFQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37N7O3/c1-3-17-41-24(2)31(35(44)42(41)29-7-5-4-6-8-29)34(43)38-28-15-13-27(14-16-28)32-33(36)37-22-30(39-32)26-11-9-25(10-12-26)23-40-18-20-45-21-19-40/h4-16,22H,3,17-21,23H2,1-2H3,(H2,36,37)(H,38,43).
What are the key properties of N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide?
N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide has a molecular weight of 603.73 g/mol, XLogP of 5.15, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-amino-6-[4-(morpholin-4-ylmethyl)phenyl]pyrazin-2-yl]phenyl]-3-methyl-5-oxo-1-phenyl-2-propylpyrazole-4-carboxamide is sourced from PubChem (CID 90256819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).