(6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

C29H30N4O3 — CID 95063015

About (6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide

(6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (PubChem CID 95063015) has the molecular formula C29H30N4O3 and a molecular weight of 482.58 g/mol. Its IUPAC name is (6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• PubChem CID: 95063015
• Molecular Formula: C29H30N4O3
• Molecular Weight: 482.58 g/mol
• Exact Mass: 482.23
• IUPAC Name: (6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide
• SMILES: Cc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2ccc(C(C)C)cc2)cc1
• InChI: InChI=1S/C29H30N4O3/c1-19(2)22-11-13-23(14-12-22)33-27(34)25-16-24(26-6-5-15-36-26)31-32(25)18-29(33,4)28(35)30-17-21-9-7-20(3)8-10-21/h5-16,19H,17-18H2,1-4H3,(H,30,35)/t29-/m1/s1
• InChIKey: GZFMVRBCBDGSLH-GDLZYMKVSA-N
• XLogP: 5.31
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.58
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The IUPAC name of (6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide (CID 95063015) is (6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The canonical SMILES for (6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is Cc1ccc(CNC(=O)[C@@]2(C)Cn3nc(-c4ccco4)cc3C(=O)N2c2ccc(C(C)C)cc2)cc1.

What is the InChIKey of (6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

The InChIKey is GZFMVRBCBDGSLH-GDLZYMKVSA-N. The full InChI is InChI=1S/C29H30N4O3/c1-19(2)22-11-13-23(14-12-22)33-27(34)25-16-24(26-6-5-15-36-26)31-32(25)18-29(33,4)28(35)30-17-21-9-7-20(3)8-10-21/h5-16,19H,17-18H2,1-4H3,(H,30,35)/t29-/m1/s1.

What are the key properties of (6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide?

(6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide has a molecular weight of 482.58 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-2-(furan-2-yl)-6-methyl-N-[(4-methylphenyl)methyl]-4-oxo-5-(4-propan-2-ylphenyl)-7H-pyrazolo[1,5-a]pyrazine-6-carboxamide is sourced from PubChem (CID 95063015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).