N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide

C25H25FN8O2 — CID 165125616

About N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 165125616) has the molecular formula C25H25FN8O2 and a molecular weight of 488.53 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 165125616
• Molecular Formula: C25H25FN8O2
• Molecular Weight: 488.53 g/mol
• Exact Mass: 488.21
• IUPAC Name: N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: COc1ccc(F)cc1-n1nc(C(=O)NCCCN(C)C)c2cnc(-c3cnn4cccnc34)cc21
• InChI: InChI=1S/C25H25FN8O2/c1-32(2)10-4-9-28-25(35)23-18-14-29-19(17-15-30-33-11-5-8-27-24(17)33)13-20(18)34(31-23)21-12-16(26)6-7-22(21)36-3/h5-8,11-15H,4,9-10H2,1-3H3,(H,28,35)
• InChIKey: DIWSDPZHEPREOO-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 102.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.53
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide (CID 165125616) is N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide is COc1ccc(F)cc1-n1nc(C(=O)NCCCN(C)C)c2cnc(-c3cnn4cccnc34)cc21.

What is the InChIKey of N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is DIWSDPZHEPREOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN8O2/c1-32(2)10-4-9-28-25(35)23-18-14-29-19(17-15-30-33-11-5-8-27-24(17)33)13-20(18)34(31-23)21-12-16(26)6-7-22(21)36-3/h5-8,11-15H,4,9-10H2,1-3H3,(H,28,35).

What are the key properties of N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide?

N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 488.53 g/mol, XLogP of 2.96, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(dimethylamino)propyl]-1-(5-fluoro-2-methoxyphenyl)-6-pyrazolo[1,5-a]pyrimidin-3-ylpyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 165125616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).