1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

C29H37N7O3 — CID 139370315

About 1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one

1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 139370315) has the molecular formula C29H37N7O3 and a molecular weight of 531.66 g/mol. Its IUPAC name is 1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
• PubChem CID: 139370315
• Molecular Formula: C29H37N7O3
• Molecular Weight: 531.66 g/mol
• Exact Mass: 531.30
• IUPAC Name: 1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
• SMILES: O=C(N1CCC(O)(Cn2cnc3c(cnn3C3CC3)c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1
• InChI: InChI=1S/C29H37N7O3/c37-26-23-16-32-36(22-8-9-22)25(23)31-20-34(26)19-29(39)12-14-33(18-28(29)10-4-5-11-28)27(38)35-15-13-30-17-24(35)21-6-2-1-3-7-21/h1-3,6-7,16,20,22,24,30,39H,4-5,8-15,17-19H2/t24-,29?/m0/s1
• InChIKey: TVXXORFVPJTKIX-CTLOQAHHSA-N
• XLogP: 2.69
• TPSA: 108.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.66
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?

The IUPAC name of 1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one (CID 139370315) is 1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one.

What is the SMILES notation for 1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?

The canonical SMILES for 1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is O=C(N1CCC(O)(Cn2cnc3c(cnn3C3CC3)c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1.

What is the InChIKey of 1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?

The InChIKey is TVXXORFVPJTKIX-CTLOQAHHSA-N. The full InChI is InChI=1S/C29H37N7O3/c37-26-23-16-32-36(22-8-9-22)25(23)31-20-34(26)19-29(39)12-14-33(18-28(29)10-4-5-11-28)27(38)35-15-13-30-17-24(35)21-6-2-1-3-7-21/h1-3,6-7,16,20,22,24,30,39H,4-5,8-15,17-19H2/t24-,29?/m0/s1.

What are the key properties of 1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one?

1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 531.66 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclopropyl-5-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 139370315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).