2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C26H23N5O3 — CID 135943151

About 2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135943151) has the molecular formula C26H23N5O3 and a molecular weight of 453.50 g/mol. Its IUPAC name is 2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• PubChem CID: 135943151
• Molecular Formula: C26H23N5O3
• Molecular Weight: 453.50 g/mol
• Exact Mass: 453.18
• IUPAC Name: 2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
• SMILES: Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCc3nc(-c4ccco4)[nH]c(=O)c3C2)o1
• InChI: InChI=1S/C26H23N5O3/c1-17-9-10-22(34-17)24-18(15-31(29-24)19-6-3-2-4-7-19)14-30-12-11-21-20(16-30)26(32)28-25(27-21)23-8-5-13-33-23/h2-10,13,15H,11-12,14,16H2,1H3,(H,27,28,32)
• InChIKey: JTRMLMHVRHVZTJ-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 93.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	453.50
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The IUPAC name of 2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135943151) is 2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

What is the SMILES notation for 2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The canonical SMILES for 2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCc3nc(-c4ccco4)[nH]c(=O)c3C2)o1.

What is the InChIKey of 2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

The InChIKey is JTRMLMHVRHVZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O3/c1-17-9-10-22(34-17)24-18(15-31(29-24)19-6-3-2-4-7-19)14-30-12-11-21-20(16-30)26(32)28-25(27-21)23-8-5-13-33-23/h2-10,13,15H,11-12,14,16H2,1H3,(H,27,28,32).

What are the key properties of 2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?

2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 453.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-yl)-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135943151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).