N-[4-[1-(4-methoxyphenyl)-3-(4-methyl-1,3-oxazol-2-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-3-pyrrolidin-1-ylbutanamide

C31H34N6O4 — CID 90748386

About N-[4-[1-(4-methoxyphenyl)-3-(4-methyl-1,3-oxazol-2-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-3-pyrrolidin-1-ylbutanamide

N-[4-[1-(4-methoxyphenyl)-3-(4-methyl-1,3-oxazol-2-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-3-pyrrolidin-1-ylbutanamide (PubChem CID 90748386) has the molecular formula C31H34N6O4 and a molecular weight of 554.65 g/mol. Its IUPAC name is N-[4-[1-(4-methoxyphenyl)-3-(4-methyl-1,3-oxazol-2-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-3-pyrrolidin-1-ylbutanamide.

Molecular Properties

• Compound Name: N-[4-[1-(4-methoxyphenyl)-3-(4-methyl-1,3-oxazol-2-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-3-pyrrolidin-1-ylbutanamide
• PubChem CID: 90748386
• Molecular Formula: C31H34N6O4
• Molecular Weight: 554.65 g/mol
• Exact Mass: 554.26
• IUPAC Name: N-[4-[1-(4-methoxyphenyl)-3-(4-methyl-1,3-oxazol-2-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-3-pyrrolidin-1-ylbutanamide
• SMILES: COc1ccc(-n2nc(-c3nc(C)co3)c3c2C(=O)N(c2ccc(NC(=O)CC(C)N4CCCC4)cc2)CC3)cc1
• InChI: InChI=1S/C31H34N6O4/c1-20-19-41-30(32-20)28-26-14-17-36(31(39)29(26)37(34-28)24-10-12-25(40-3)13-11-24)23-8-6-22(7-9-23)33-27(38)18-21(2)35-15-4-5-16-35/h6-13,19,21H,4-5,14-18H2,1-3H3,(H,33,38)
• InChIKey: QRNSHHXXAVPCQV-UHFFFAOYSA-N
• XLogP: 4.86
• TPSA: 105.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.65
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[4-[1-(4-methoxyphenyl)-3-(4-methyl-1,3-oxazol-2-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-3-pyrrolidin-1-ylbutanamide (CID 90748386) is N-[4-[1-(4-methoxyphenyl)-3-(4-methyl-1,3-oxazol-2-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-3-pyrrolidin-1-ylbutanamide.

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

The canonical SMILES for N-[4-[1-(4-methoxyphenyl)-3-(4-methyl-1,3-oxazol-2-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-3-pyrrolidin-1-ylbutanamide is COc1ccc(-n2nc(-c3nc(C)co3)c3c2C(=O)N(c2ccc(NC(=O)CC(C)N4CCCC4)cc2)CC3)cc1.

What is the InChIKey of N-[4-[1-(4-methoxyphenyl)-3-(4-methyl-1,3-oxazol-2-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-3-pyrrolidin-1-ylbutanamide?

The InChIKey is QRNSHHXXAVPCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N6O4/c1-20-19-41-30(32-20)28-26-14-17-36(31(39)29(26)37(34-28)24-10-12-25(40-3)13-11-24)23-8-6-22(7-9-23)33-27(38)18-21(2)35-15-4-5-16-35/h6-13,19,21H,4-5,14-18H2,1-3H3,(H,33,38).

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

N-[4-[1-(4-methoxyphenyl)-3-(4-methyl-1,3-oxazol-2-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-3-pyrrolidin-1-ylbutanamide has a molecular weight of 554.65 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[1-(4-methoxyphenyl)-3-(4-methyl-1,3-oxazol-2-yl)-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]phenyl]-3-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 90748386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).