N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

C24H25N5O3 — CID 46282515

About N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide

N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide (PubChem CID 46282515) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide.

Molecular Properties

• Compound Name: N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
• PubChem CID: 46282515
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide
• SMILES: Cn1cc(-c2cc3n(n2)CCCN3C(=O)CCC(=O)NCc2ccco2)c2ccccc21
• InChI: InChI=1S/C24H25N5O3/c1-27-16-19(18-7-2-3-8-21(18)27)20-14-23-28(11-5-12-29(23)26-20)24(31)10-9-22(30)25-15-17-6-4-13-32-17/h2-4,6-8,13-14,16H,5,9-12,15H2,1H3,(H,25,30)
• InChIKey: LCDLCEYYULAFGT-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 85.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide?

The IUPAC name of N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide (CID 46282515) is N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide.

What is the SMILES notation for N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide?

The canonical SMILES for N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide is Cn1cc(-c2cc3n(n2)CCCN3C(=O)CCC(=O)NCc2ccco2)c2ccccc21.

What is the InChIKey of N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide?

The InChIKey is LCDLCEYYULAFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-27-16-19(18-7-2-3-8-21(18)27)20-14-23-28(11-5-12-29(23)26-20)24(31)10-9-22(30)25-15-17-6-4-13-32-17/h2-4,6-8,13-14,16H,5,9-12,15H2,1H3,(H,25,30).

What are the key properties of N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide?

N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide has a molecular weight of 431.50 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(furan-2-ylmethyl)-4-[2-(1-methylindol-3-yl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidin-4-yl]-4-oxobutanamide is sourced from PubChem (CID 46282515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).