N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

C32H26FN7O3 — CID 174313605

About N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide

N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (PubChem CID 174313605) has the molecular formula C32H26FN7O3 and a molecular weight of 575.60 g/mol. Its IUPAC name is N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• PubChem CID: 174313605
• Molecular Formula: C32H26FN7O3
• Molecular Weight: 575.60 g/mol
• Exact Mass: 575.21
• IUPAC Name: N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide
• SMILES: CN(C)Cc1cccc(-c2n[nH]c3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1
• InChI: InChI=1S/C32H26FN7O3/c1-39(2)18-20-5-3-6-21(17-20)28-27-29(38-37-28)34-19-35-31(27)43-25-14-10-23(11-15-25)36-30(41)26-7-4-16-40(32(26)42)24-12-8-22(33)9-13-24/h3-17,19H,18H2,1-2H3,(H,36,41)(H,34,35,37,38)
• InChIKey: RSWQZKVJPZACPF-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 118.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.60
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The IUPAC name of N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide (CID 174313605) is N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide.

What is the SMILES notation for N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The canonical SMILES for N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is CN(C)Cc1cccc(-c2n[nH]c3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c23)c1.

What is the InChIKey of N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

The InChIKey is RSWQZKVJPZACPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26FN7O3/c1-39(2)18-20-5-3-6-21(17-20)28-27-29(38-37-28)34-19-35-31(27)43-25-14-10-23(11-15-25)36-30(41)26-7-4-16-40(32(26)42)24-12-8-22(33)9-13-24/h3-17,19H,18H2,1-2H3,(H,36,41)(H,34,35,37,38).

What are the key properties of N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide?

N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide has a molecular weight of 575.60 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[3-[3-[(dimethylamino)methyl]phenyl]-1H-pyrazolo[5,4-d]pyrimidin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 174313605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).