3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile

C24H19N5O — CID 24913938

About 3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile

3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile (PubChem CID 24913938) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile.

Molecular Properties

• Compound Name: 3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile
• PubChem CID: 24913938
• Molecular Formula: C24H19N5O
• Molecular Weight: 393.45 g/mol
• Exact Mass: 393.16
• IUPAC Name: 3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile
• SMILES: N#Cc1cccc(-c2ccc(CN3CCc4nc(-c5ccco5)ncc4C3)cn2)c1
• InChI: InChI=1S/C24H19N5O/c25-12-17-3-1-4-19(11-17)21-7-6-18(13-26-21)15-29-9-8-22-20(16-29)14-27-24(28-22)23-5-2-10-30-23/h1-7,10-11,13-14H,8-9,15-16H2
• InChIKey: LHHJLJQRJIYZQH-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 78.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.45
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile?

The IUPAC name of 3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile (CID 24913938) is 3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile.

What is the SMILES notation for 3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile?

The canonical SMILES for 3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile is N#Cc1cccc(-c2ccc(CN3CCc4nc(-c5ccco5)ncc4C3)cn2)c1.

What is the InChIKey of 3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile?

The InChIKey is LHHJLJQRJIYZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c25-12-17-3-1-4-19(11-17)21-7-6-18(13-26-21)15-29-9-8-22-20(16-29)14-27-24(28-22)23-5-2-10-30-23/h1-7,10-11,13-14H,8-9,15-16H2.

What are the key properties of 3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile?

3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile has a molecular weight of 393.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[[2-(furan-2-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-2-pyridinyl]benzonitrile is sourced from PubChem (CID 24913938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).