8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

C24H24N6O2 — CID 155530704

About 8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one

8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 155530704) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 155530704
• Molecular Formula: C24H24N6O2
• Molecular Weight: 428.50 g/mol
• Exact Mass: 428.20
• IUPAC Name: 8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one
• SMILES: O=c1[nH]cnc2c(-n3cc(CCN4CCC5(CC4)OCc4ccccc45)cn3)nccc12
• InChI: InChI=1S/C24H24N6O2/c31-23-19-5-9-25-22(21(19)26-16-27-23)30-14-17(13-28-30)6-10-29-11-7-24(8-12-29)20-4-2-1-3-18(20)15-32-24/h1-5,9,13-14,16H,6-8,10-12,15H2,(H,26,27,31)
• InChIKey: WMPDPRRYFWPZOM-UHFFFAOYSA-N
• XLogP: 2.57
• TPSA: 88.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.50
LogP ≤ 5	2.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?

The IUPAC name of 8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one (CID 155530704) is 8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is O=c1[nH]cnc2c(-n3cc(CCN4CCC5(CC4)OCc4ccccc45)cn3)nccc12.

What is the InChIKey of 8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?

The InChIKey is WMPDPRRYFWPZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O2/c31-23-19-5-9-25-22(21(19)26-16-27-23)30-14-17(13-28-30)6-10-29-11-7-24(8-12-29)20-4-2-1-3-18(20)15-32-24/h1-5,9,13-14,16H,6-8,10-12,15H2,(H,26,27,31).

What are the key properties of 8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one?

8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 428.50 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(2-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylethyl)pyrazol-1-yl]-3H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 155530704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).