6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one

C25H30ClFN4O4 — CID 139370320

IUPAC6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
SMILESO=C(N1CC[C@@](O)(Cn2cnc(Cl)cc2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C25H30ClFN4O4/c26-21-13-22(32)30(17-28-21)16-25(34)9-10-29(15-24(25)7-1-2-8-24)23(33)31-11-12-35-14-20(31)18-3-5-19(27)6-4-18/h3-6,13,17,20,34H,1-2,7-12,14-16H2/t20-,25+/m0/s1
InChIKeyBPOHFLNMVLRGFM-NBGIEHNGSA-N
MW504.99 g/mol
LogP3.23
Rot. Bonds3

About 6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one

6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one (PubChem CID 139370320) has the molecular formula C25H30ClFN4O4 and a molecular weight of 504.99 g/mol. Its IUPAC name is 6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
PubChem CID139370320
Molecular FormulaC25H30ClFN4O4
Molecular Weight504.99 g/mol
Exact Mass504.19
IUPAC Name6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one
SMILESO=C(N1CC[C@@](O)(Cn2cnc(Cl)cc2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccc(F)cc1
InChIInChI=1S/C25H30ClFN4O4/c26-21-13-22(32)30(17-28-21)16-25(34)9-10-29(15-24(25)7-1-2-8-24)23(33)31-11-12-35-14-20(31)18-3-5-19(27)6-4-18/h3-6,13,17,20,34H,1-2,7-12,14-16H2/t20-,25+/m0/s1
InChIKeyBPOHFLNMVLRGFM-NBGIEHNGSA-N
XLogP3.23
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.99
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one (CID 139370320) is 6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one is O=C(N1CC[C@@](O)(Cn2cnc(Cl)cc2=O)C2(CCCC2)C1)N1CCOC[C@H]1c1ccc(F)cc1.
What is the InChIKey of 6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one?
The InChIKey is BPOHFLNMVLRGFM-NBGIEHNGSA-N. The full InChI is InChI=1S/C25H30ClFN4O4/c26-21-13-22(32)30(17-28-21)16-25(34)9-10-29(15-24(25)7-1-2-8-24)23(33)31-11-12-35-14-20(31)18-3-5-19(27)6-4-18/h3-6,13,17,20,34H,1-2,7-12,14-16H2/t20-,25+/m0/s1.
What are the key properties of 6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one?
6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one has a molecular weight of 504.99 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]pyrimidin-4-one is sourced from PubChem (CID 139370320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).