6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one

C28H34N6O3 — CID 139369838

About 6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one

6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one (PubChem CID 139369838) has the molecular formula C28H34N6O3 and a molecular weight of 502.62 g/mol. Its IUPAC name is 6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

• Compound Name: 6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one
• PubChem CID: 139369838
• Molecular Formula: C28H34N6O3
• Molecular Weight: 502.62 g/mol
• Exact Mass: 502.27
• IUPAC Name: 6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one
• SMILES: O=C(N1CC[C@@](O)(Cn2ccc3ncncc3c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1
• InChI: InChI=1S/C28H34N6O3/c35-25-22-16-30-20-31-23(22)8-13-32(25)19-28(37)11-14-33(18-27(28)9-4-5-10-27)26(36)34-15-12-29-17-24(34)21-6-2-1-3-7-21/h1-3,6-8,13,16,20,24,29,37H,4-5,9-12,14-15,17-19H2/t24-,28+/m0/s1
• InChIKey: YXEQQQQLCJHALB-RBJSKKJNSA-N
• XLogP: 2.56
• TPSA: 103.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.62
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one?

The IUPAC name of 6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one (CID 139369838) is 6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one.

What is the SMILES notation for 6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one?

The canonical SMILES for 6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one is O=C(N1CC[C@@](O)(Cn2ccc3ncncc3c2=O)C2(CCCC2)C1)N1CCNC[C@H]1c1ccccc1.

What is the InChIKey of 6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one?

The InChIKey is YXEQQQQLCJHALB-RBJSKKJNSA-N. The full InChI is InChI=1S/C28H34N6O3/c35-25-22-16-30-20-31-23(22)8-13-32(25)19-28(37)11-14-33(18-27(28)9-4-5-10-27)26(36)34-15-12-29-17-24(34)21-6-2-1-3-7-21/h1-3,6-8,13,16,20,24,29,37H,4-5,9-12,14-15,17-19H2/t24-,28+/m0/s1.

What are the key properties of 6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one?

6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 502.62 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 139369838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).