1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

C28H33N5O3 — CID 59020061

About 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide

1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 59020061) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 59020061
• Molecular Formula: C28H33N5O3
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.26
• IUPAC Name: 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCCC4)cc2)CC3)cc1
• InChI: InChI=1S/C28H33N5O3/c1-28(2,18-31-15-4-5-16-31)19-6-8-20(9-7-19)32-17-14-23-24(26(29)34)30-33(25(23)27(32)35)21-10-12-22(36-3)13-11-21/h6-13H,4-5,14-18H2,1-3H3,(H2,29,34)
• InChIKey: VFMIODZMTSQSRH-UHFFFAOYSA-N
• XLogP: 3.56
• TPSA: 93.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The IUPAC name of 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 59020061) is 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

What is the SMILES notation for 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The canonical SMILES for 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN4CCCC4)cc2)CC3)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

The InChIKey is VFMIODZMTSQSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-28(2,18-31-15-4-5-16-31)19-6-8-20(9-7-19)32-17-14-23-24(26(29)34)30-33(25(23)27(32)35)21-10-12-22(36-3)13-11-21/h6-13H,4-5,14-18H2,1-3H3,(H2,29,34).

What are the key properties of 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide?

1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-6-[4-(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 59020061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).