3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one

C29H35FN6O4 — CID 146671359

IUPAC3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one
SMILESCn1cc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCOC[C@H]4c4ccc(F)cc4)CC34CCCC4)cn2)cn1
InChIInChI=1S/C29H35FN6O4/c1-33-16-22(15-32-33)24-14-26(37)35(20-31-24)19-29(39)10-11-34(18-28(29)8-2-3-9-28)27(38)36-12-13-40-17-25(36)21-4-6-23(30)7-5-21/h4-7,14-16,20,25,39H,2-3,8-13,17-19H2,1H3/t25-,29+/m0/s1
InChIKeyRXDYLIKWKRNNFA-ABYGYWHVSA-N
MW550.64 g/mol
LogP2.97
Rot. Bonds4

About 3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one

3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one (PubChem CID 146671359) has the molecular formula C29H35FN6O4 and a molecular weight of 550.64 g/mol. Its IUPAC name is 3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one
PubChem CID146671359
Molecular FormulaC29H35FN6O4
Molecular Weight550.64 g/mol
Exact Mass550.27
IUPAC Name3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one
SMILESCn1cc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCOC[C@H]4c4ccc(F)cc4)CC34CCCC4)cn2)cn1
InChIInChI=1S/C29H35FN6O4/c1-33-16-22(15-32-33)24-14-26(37)35(20-31-24)19-29(39)10-11-34(18-28(29)8-2-3-9-28)27(38)36-12-13-40-17-25(36)21-4-6-23(30)7-5-21/h4-7,14-16,20,25,39H,2-3,8-13,17-19H2,1H3/t25-,29+/m0/s1
InChIKeyRXDYLIKWKRNNFA-ABYGYWHVSA-N
XLogP2.97
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.64
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one with MolForge

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Related Compounds

US11807646, Example 291
CID 139370511
US11807646, Example 167
CID 139370622
US11807646, Example 284
CID 139375488
US11807646, Example 289
CID 139375668
US11807646, Example 224
CID 139375801
US11807646, Example 329
CID 149904760
US11807646, Example 225
CID 153332368
3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 156788000
US11807646, Example 204
CID 139375462
3-[[7-[3-(4-Fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one
CID 156135412
3-[[7-[3-(4-Fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one
CID 156135426
3-[[(10S)-7-[(3R)-3-[(3Z,5E)-5-fluorohepta-1,3,5-trien-2-yl]morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one
CID 163746349

Frequently Asked Questions

What is the IUPAC name of 3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one?
The IUPAC name of 3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one (CID 146671359) is 3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one.
What is the SMILES notation for 3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one?
The canonical SMILES for 3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one is Cn1cc(-c2cc(=O)n(C[C@]3(O)CCN(C(=O)N4CCOC[C@H]4c4ccc(F)cc4)CC34CCCC4)cn2)cn1.
What is the InChIKey of 3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one?
The InChIKey is RXDYLIKWKRNNFA-ABYGYWHVSA-N. The full InChI is InChI=1S/C29H35FN6O4/c1-33-16-22(15-32-33)24-14-26(37)35(20-31-24)19-29(39)10-11-34(18-28(29)8-2-3-9-28)27(38)36-12-13-40-17-25(36)21-4-6-23(30)7-5-21/h4-7,14-16,20,25,39H,2-3,8-13,17-19H2,1H3/t25-,29+/m0/s1.
What are the key properties of 3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one?
3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one has a molecular weight of 550.64 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(10S)-7-[(3R)-3-(4-fluorophenyl)morpholine-4-carbonyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrimidin-4-one is sourced from PubChem (CID 146671359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).