3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one

C29H36N6O4 — CID 139375801

IUPAC3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one
SMILESCn1nccc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCOC[C@H]3c3ccccc3)CC23CCCC3)cn1
InChIInChI=1S/C29H36N6O4/c1-32-24(9-13-31-32)23-17-26(36)34(21-30-23)20-29(38)12-14-33(19-28(29)10-5-6-11-28)27(37)35-15-16-39-18-25(35)22-7-3-2-4-8-22/h2-4,7-9,13,17,21,25,38H,5-6,10-12,14-16,18-20H2,1H3/t25-,29+/m0/s1
InChIKeyRIUDEAGCNCKPFC-ABYGYWHVSA-N
MW532.65 g/mol
LogP2.83
Rot. Bonds4

About 3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one

3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one (PubChem CID 139375801) has the molecular formula C29H36N6O4 and a molecular weight of 532.65 g/mol. Its IUPAC name is 3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one
PubChem CID139375801
Molecular FormulaC29H36N6O4
Molecular Weight532.65 g/mol
Exact Mass532.28
IUPAC Name3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one
SMILESCn1nccc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCOC[C@H]3c3ccccc3)CC23CCCC3)cn1
InChIInChI=1S/C29H36N6O4/c1-32-24(9-13-31-32)23-17-26(36)34(21-30-23)20-29(38)12-14-33(19-28(29)10-5-6-11-28)27(37)35-15-16-39-18-25(35)22-7-3-2-4-8-22/h2-4,7-9,13,17,21,25,38H,5-6,10-12,14-16,18-20H2,1H3/t25-,29+/m0/s1
InChIKeyRIUDEAGCNCKPFC-ABYGYWHVSA-N
XLogP2.83
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.65
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one with MolForge

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Related Compounds

US11807646, Example 291
CID 139370511
US11807646, Example 167
CID 139370622
US11807646, Example 205
CID 139375460
US11807646, Example 284
CID 139375488
US11807646, Example 328
CID 139375491
US11807646, Example 289
CID 139375668
US11807646, Example 285
CID 146671359
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
3-[[(10S)-10-hydroxy-7-[(2R)-2-phenylpiperazine-1-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyrimidin-4-one
CID 166627517
US11807646, Example 179
CID 139370465

Frequently Asked Questions

What is the IUPAC name of 3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one?
The IUPAC name of 3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one (CID 139375801) is 3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one.
What is the SMILES notation for 3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one?
The canonical SMILES for 3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one is Cn1nccc1-c1cc(=O)n(C[C@]2(O)CCN(C(=O)N3CCOC[C@H]3c3ccccc3)CC23CCCC3)cn1.
What is the InChIKey of 3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one?
The InChIKey is RIUDEAGCNCKPFC-ABYGYWHVSA-N. The full InChI is InChI=1S/C29H36N6O4/c1-32-24(9-13-31-32)23-17-26(36)34(21-30-23)20-29(38)12-14-33(19-28(29)10-5-6-11-28)27(37)35-15-16-39-18-25(35)22-7-3-2-4-8-22/h2-4,7-9,13,17,21,25,38H,5-6,10-12,14-16,18-20H2,1H3/t25-,29+/m0/s1.
What are the key properties of 3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one?
3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one has a molecular weight of 532.65 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(10S)-10-hydroxy-7-[(3R)-3-phenylmorpholine-4-carbonyl]-7-azaspiro[4.5]decan-10-yl]methyl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-one is sourced from PubChem (CID 139375801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).