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]-N-methyl-2-pyrrolidin-1-ylacetamide

C30H32N6O4 — CID 10218251

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]-N-methyl-2-pyrrolidin-1-ylacetamide

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]-N-methyl-2-pyrrolidin-1-ylacetamide (PubChem CID 10218251) has the molecular formula C30H32N6O4 and a molecular weight of 540.62 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]-N-methyl-2-pyrrolidin-1-ylacetamide.

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]-N-methyl-2-pyrrolidin-1-ylacetamide
• PubChem CID: 10218251
• Molecular Formula: C30H32N6O4
• Molecular Weight: 540.62 g/mol
• Exact Mass: 540.25
• 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]-N-methyl-2-pyrrolidin-1-ylacetamide
• SMILES: COc1ccc(-n2nc(-c3nc(C)co3)c3c2C(=O)N(c2ccc(N(C)C(=O)CN4CCCC4)cc2)CC3)cc1
• InChI: InChI=1S/C30H32N6O4/c1-20-19-40-29(31-20)27-25-14-17-35(30(38)28(25)36(32-27)23-10-12-24(39-3)13-11-23)22-8-6-21(7-9-22)33(2)26(37)18-34-15-4-5-16-34/h6-13,19H,4-5,14-18H2,1-3H3
• InChIKey: CCHLRRYDEMEIEV-UHFFFAOYSA-N
• XLogP: 4.11
• TPSA: 96.94 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.62
LogP ≤ 5	4.11
H-Bond Donors ≤ 5	0
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]-N-methyl-2-pyrrolidin-1-ylacetamide?

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]-N-methyl-2-pyrrolidin-1-ylacetamide (CID 10218251) 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]-N-methyl-2-pyrrolidin-1-ylacetamide.

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]-N-methyl-2-pyrrolidin-1-ylacetamide?

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]-N-methyl-2-pyrrolidin-1-ylacetamide is COc1ccc(-n2nc(-c3nc(C)co3)c3c2C(=O)N(c2ccc(N(C)C(=O)CN4CCCC4)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]-N-methyl-2-pyrrolidin-1-ylacetamide?

The InChIKey is CCHLRRYDEMEIEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N6O4/c1-20-19-40-29(31-20)27-25-14-17-35(30(38)28(25)36(32-27)23-10-12-24(39-3)13-11-23)22-8-6-21(7-9-22)33(2)26(37)18-34-15-4-5-16-34/h6-13,19H,4-5,14-18H2,1-3H3.

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]-N-methyl-2-pyrrolidin-1-ylacetamide?

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]-N-methyl-2-pyrrolidin-1-ylacetamide has a molecular weight of 540.62 g/mol, XLogP of 4.11, 7 rotatable bonds, 0 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]-N-methyl-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 10218251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).