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

C32H33N5O4 — CID 23635503

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

6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-N-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (PubChem CID 23635503) has the molecular formula C32H33N5O4 and a molecular weight of 551.65 g/mol. Its IUPAC name is 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-N-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-N-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• PubChem CID: 23635503
• Molecular Formula: C32H33N5O4
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.25
• IUPAC Name: 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-N-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide
• SMILES: CNC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1)C2=O
• InChI: InChI=1S/C32H33N5O4/c1-33-31(39)29-28-16-18-36(32(40)30(28)37(34-29)24-11-13-26(41-2)14-12-24)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-35-17-15-25(38)20-35/h3-14,25,38H,15-20H2,1-2H3,(H,33,39)/t25-/m1/s1
• InChIKey: KXKURQAXASTNBV-RUZDIDTESA-N
• XLogP: 3.68
• TPSA: 99.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-N-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide (CID 23635503) is 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-N-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide.

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

The canonical SMILES for 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-N-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is CNC(=O)c1nn(-c2ccc(OC)cc2)c2c1CCN(c1ccc(-c3ccccc3CN3CC[C@@H](O)C3)cc1)C2=O.

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

The InChIKey is KXKURQAXASTNBV-RUZDIDTESA-N. The full InChI is InChI=1S/C32H33N5O4/c1-33-31(39)29-28-16-18-36(32(40)30(28)37(34-29)24-11-13-26(41-2)14-12-24)23-9-7-21(8-10-23)27-6-4-3-5-22(27)19-35-17-15-25(38)20-35/h3-14,25,38H,15-20H2,1-2H3,(H,33,39)/t25-/m1/s1.

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

6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-N-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide has a molecular weight of 551.65 g/mol, XLogP of 3.68, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]phenyl]-1-(4-methoxyphenyl)-N-methyl-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridine-3-carboxamide is sourced from PubChem (CID 23635503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).