N-[1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide

C25H24FN5O5 — CID 131997834

About N-[1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide

N-[1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide (PubChem CID 131997834) has the molecular formula C25H24FN5O5 and a molecular weight of 493.50 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide.

Molecular Properties

• Compound Name: N-[1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide
• PubChem CID: 131997834
• Molecular Formula: C25H24FN5O5
• Molecular Weight: 493.50 g/mol
• Exact Mass: 493.18
• IUPAC Name: N-[1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide
• SMILES: COc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(N4CCOCC4=O)c(C)c2)CC3)cc1F
• InChI: InChI=1S/C25H24FN5O5/c1-15-11-16(3-5-20(15)30-9-10-36-13-22(30)33)29-8-7-18-23(25(29)34)31(28-24(18)27-14-32)17-4-6-21(35-2)19(26)12-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,27,28,32)
• InChIKey: XFLCMOMOSIANOP-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 106.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.50
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide (CID 131997834) is N-[1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide.

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

The canonical SMILES for N-[1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide is COc1ccc(-n2nc(NC=O)c3c2C(=O)N(c2ccc(N4CCOCC4=O)c(C)c2)CC3)cc1F.

What is the InChIKey of N-[1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide?

The InChIKey is XFLCMOMOSIANOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O5/c1-15-11-16(3-5-20(15)30-9-10-36-13-22(30)33)29-8-7-18-23(25(29)34)31(28-24(18)27-14-32)17-4-6-21(35-2)19(26)12-17/h3-6,11-12,14H,7-10,13H2,1-2H3,(H,27,28,32).

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

N-[1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide has a molecular weight of 493.50 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-fluoro-4-methoxyphenyl)-6-[3-methyl-4-(3-oxomorpholin-4-yl)phenyl]-7-oxo-4,5-dihydropyrazolo[5,4-c]pyridin-3-yl]formamide is sourced from PubChem (CID 131997834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).