2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one

C27H35N7O3 — CID 146627614

About 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one

2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one (PubChem CID 146627614) has the molecular formula C27H35N7O3 and a molecular weight of 505.62 g/mol. Its IUPAC name is 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one.

Molecular Properties

• Compound Name: 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one
• PubChem CID: 146627614
• Molecular Formula: C27H35N7O3
• Molecular Weight: 505.62 g/mol
• Exact Mass: 505.28
• IUPAC Name: 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one
• SMILES: Cn1c2ncncc2c(=O)n1CC1(O)CCN(C(=O)N2CCNC[C@H]2c2ccccc2)CC12CCCC2
• InChI: InChI=1S/C27H35N7O3/c1-31-23-21(15-29-19-30-23)24(35)34(31)18-27(37)11-13-32(17-26(27)9-5-6-10-26)25(36)33-14-12-28-16-22(33)20-7-3-2-4-8-20/h2-4,7-8,15,19,22,28,37H,5-6,9-14,16-18H2,1H3/t22-,27?/m0/s1
• InChIKey: JSNPKROAJCSUSY-YMQLSTQVSA-N
• XLogP: 1.89
• TPSA: 108.52 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.62
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one?

The IUPAC name of 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one (CID 146627614) is 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one.

What is the SMILES notation for 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one?

The canonical SMILES for 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one is Cn1c2ncncc2c(=O)n1CC1(O)CCN(C(=O)N2CCNC[C@H]2c2ccccc2)CC12CCCC2.

What is the InChIKey of 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one?

The InChIKey is JSNPKROAJCSUSY-YMQLSTQVSA-N. The full InChI is InChI=1S/C27H35N7O3/c1-31-23-21(15-29-19-30-23)24(35)34(31)18-27(37)11-13-32(17-26(27)9-5-6-10-26)25(36)33-14-12-28-16-22(33)20-7-3-2-4-8-20/h2-4,7-8,15,19,22,28,37H,5-6,9-14,16-18H2,1H3/t22-,27?/m0/s1.

What are the key properties of 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one?

2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one has a molecular weight of 505.62 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-3-one is sourced from PubChem (CID 146627614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).