4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide

C25H26N6O2 — CID 46349719

About 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide

4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide (PubChem CID 46349719) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide.

Molecular Properties

• Compound Name: 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide
• PubChem CID: 46349719
• Molecular Formula: C25H26N6O2
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.21
• IUPAC Name: 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide
• SMILES: Cn1cc(-c2cc3n(n2)CCC(=O)N3CCCC(=O)NCc2cccnc2)c2ccccc21
• InChI: InChI=1S/C25H26N6O2/c1-29-17-20(19-7-2-3-8-22(19)29)21-14-24-30(25(33)10-13-31(24)28-21)12-5-9-23(32)27-16-18-6-4-11-26-15-18/h2-4,6-8,11,14-15,17H,5,9-10,12-13,16H2,1H3,(H,27,32)
• InChIKey: VOPQYLPJOLOMEB-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 85.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide?

The IUPAC name of 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide (CID 46349719) is 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide.

What is the SMILES notation for 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide?

The canonical SMILES for 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide is Cn1cc(-c2cc3n(n2)CCC(=O)N3CCCC(=O)NCc2cccnc2)c2ccccc21.

What is the InChIKey of 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide?

The InChIKey is VOPQYLPJOLOMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-29-17-20(19-7-2-3-8-22(19)29)21-14-24-30(25(33)10-13-31(24)28-21)12-5-9-23(32)27-16-18-6-4-11-26-15-18/h2-4,6-8,11,14-15,17H,5,9-10,12-13,16H2,1H3,(H,27,32).

What are the key properties of 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide?

4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide has a molecular weight of 442.52 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide is sourced from PubChem (CID 46349719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).