2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C29H30N4O4S — CID 46272724

IUPAC2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2OC)N(CCc2cccs2)C3=O)cc1
InChIInChI=1S/C29H30N4O4S/c1-29(28(35)30-18-21-7-4-5-9-26(21)37-3)19-33-25(27(34)32(29)15-14-23-8-6-16-38-23)17-24(31-33)20-10-12-22(36-2)13-11-20/h4-13,16-17H,14-15,18-19H2,1-3H3,(H,30,35)
InChIKeyPCUWHTMZTHSYHS-UHFFFAOYSA-N
MW530.65 g/mol
LogP4.40
Rot. Bonds9

About 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 46272724) has the molecular formula C29H30N4O4S and a molecular weight of 530.65 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
PubChem CID46272724
Molecular FormulaC29H30N4O4S
Molecular Weight530.65 g/mol
Exact Mass530.20
IUPAC Name2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
SMILESCOc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2OC)N(CCc2cccs2)C3=O)cc1
InChIInChI=1S/C29H30N4O4S/c1-29(28(35)30-18-21-7-4-5-9-26(21)37-3)19-33-25(27(34)32(29)15-14-23-8-6-16-38-23)17-24(31-33)20-10-12-22(36-2)13-11-20/h4-13,16-17H,14-15,18-19H2,1-3H3,(H,30,35)
InChIKeyPCUWHTMZTHSYHS-UHFFFAOYSA-N
XLogP4.40
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.65
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 46272724) is 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is COc1ccc(-c2cc3n(n2)CC(C)(C(=O)NCc2ccccc2OC)N(CCc2cccs2)C3=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
The InChIKey is PCUWHTMZTHSYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4S/c1-29(28(35)30-18-21-7-4-5-9-26(21)37-3)19-33-25(27(34)32(29)15-14-23-8-6-16-38-23)17-24(31-33)20-10-12-22(36-2)13-11-20/h4-13,16-17H,14-15,18-19H2,1-3H3,(H,30,35).
What are the key properties of 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 530.65 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-6-methyl-4-oxo-5-(2-thiophen-2-ylethyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 46272724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).