N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide

C32H24FN9O — CID 145033573

About N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide

N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 145033573) has the molecular formula C32H24FN9O and a molecular weight of 569.60 g/mol. Its IUPAC name is N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
• PubChem CID: 145033573
• Molecular Formula: C32H24FN9O
• Molecular Weight: 569.60 g/mol
• Exact Mass: 569.21
• IUPAC Name: N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide
• SMILES: Cn1nc(C2=NCc3c(ccnc3-c3ccncc3)N2)c2c(F)c(-c3cncc(NC(=O)Cc4ccccc4)c3)ncc21
• InChI: InChI=1S/C32H24FN9O/c1-42-25-18-37-30(21-14-22(16-35-15-21)39-26(43)13-19-5-3-2-4-6-19)28(33)27(25)31(41-42)32-38-17-23-24(40-32)9-12-36-29(23)20-7-10-34-11-8-20/h2-12,14-16,18H,13,17H2,1H3,(H,38,40)(H,39,43)
• InChIKey: GXUXOMZZGHXKKT-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 122.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.60
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

The IUPAC name of N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 145033573) is N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide.

What is the SMILES notation for N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

The canonical SMILES for N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is Cn1nc(C2=NCc3c(ccnc3-c3ccncc3)N2)c2c(F)c(-c3cncc(NC(=O)Cc4ccccc4)c3)ncc21.

What is the InChIKey of N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

The InChIKey is GXUXOMZZGHXKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24FN9O/c1-42-25-18-37-30(21-14-22(16-35-15-21)39-26(43)13-19-5-3-2-4-6-19)28(33)27(25)31(41-42)32-38-17-23-24(40-32)9-12-36-29(23)20-7-10-34-11-8-20/h2-12,14-16,18H,13,17H2,1H3,(H,38,40)(H,39,43).

What are the key properties of N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide?

N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 569.60 g/mol, XLogP of 5.18, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[4-fluoro-1-methyl-3-(5-pyridin-4-yl-1,4-dihydropyrido[4,3-d]pyrimidin-2-yl)pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 145033573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).