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

C32H37N7O3 — CID 154926892

IUPAC5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(N1CCC(O)(Cn2cnc3c(cnn3-c3ccccc3)c2=O)C2(CCCC2)C1)N1CCNCC1c1ccccc1
InChIInChI=1S/C32H37N7O3/c40-29-26-19-35-39(25-11-5-2-6-12-25)28(26)34-23-37(29)22-32(42)15-17-36(21-31(32)13-7-8-14-31)30(41)38-18-16-33-20-27(38)24-9-3-1-4-10-24/h1-6,9-12,19,23,27,33,42H,7-8,13-18,20-22H2
InChIKeyCRTSTOPZTHFKTM-UHFFFAOYSA-N
MW567.69 g/mol
LogP3.35
Rot. Bonds4

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

5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 154926892) has the molecular formula C32H37N7O3 and a molecular weight of 567.69 g/mol. Its IUPAC name is 5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID154926892
Molecular FormulaC32H37N7O3
Molecular Weight567.69 g/mol
Exact Mass567.30
IUPAC Name5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESO=C(N1CCC(O)(Cn2cnc3c(cnn3-c3ccccc3)c2=O)C2(CCCC2)C1)N1CCNCC1c1ccccc1
InChIInChI=1S/C32H37N7O3/c40-29-26-19-35-39(25-11-5-2-6-12-25)28(26)34-23-37(29)22-32(42)15-17-36(21-31(32)13-7-8-14-31)30(41)38-18-16-33-20-27(38)24-9-3-1-4-10-24/h1-6,9-12,19,23,27,33,42H,7-8,13-18,20-22H2
InChIKeyCRTSTOPZTHFKTM-UHFFFAOYSA-N
XLogP3.35
TPSA108.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.69
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

1-benzyl-5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146627588
3-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 139370033
tert-butyl 10-hydroxy-10-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 150259503
3-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-thiophen-2-ylpyrimidin-4-one
CID 146627488
6-(4-fluorocyclohexyl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 162711665
6-(1,3-dihydro-2-benzofuran-5-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 146670914
3-[[(10S)-7-[2-(3,4-difluorophenyl)piperazine-1-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146627507
6-(2,3-dihydro-1-benzofuran-6-yl)-3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 146627530
6-cyclopropyl-3-[[(10S)-7-[(2R)-2-(3-fluorophenyl)piperazine-1-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
CID 146670921
(3R)-4-[10-[(6-fluoro-4-oxoquinazolin-3-yl)methyl]-10-hydroxy-7-azaspiro[4.5]decane-7-carbonyl]-3-phenylpiperazine-1-carboxylic acid
CID 139369972
6,7-difluoro-3-[[10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]quinazolin-4-one
CID 139370355
3-[[(10S)-10-hydroxy-7-(2-thiophen-2-ylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-6-phenylpyrimidin-4-one
CID 146670925

Frequently Asked Questions

What is the IUPAC name of 5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 154926892) is 5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is O=C(N1CCC(O)(Cn2cnc3c(cnn3-c3ccccc3)c2=O)C2(CCCC2)C1)N1CCNCC1c1ccccc1.
What is the InChIKey of 5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is CRTSTOPZTHFKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N7O3/c40-29-26-19-35-39(25-11-5-2-6-12-25)28(26)34-23-37(29)22-32(42)15-17-36(21-31(32)13-7-8-14-31)30(41)38-18-16-33-20-27(38)24-9-3-1-4-10-24/h1-6,9-12,19,23,27,33,42H,7-8,13-18,20-22H2.
What are the key properties of 5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 567.69 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[10-hydroxy-7-(2-phenylpiperazine-1-carbonyl)-7-azaspiro[4.5]decan-10-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 154926892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).