8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C24H32N4O2 — CID 95870678

IUPAC8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC[C@@H](CN1CC2(CCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O)c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-18(19-6-4-3-5-7-19)15-28-17-24(30-23(28)29)10-12-27(13-11-24)16-21-14-25-26(2)22(21)20-8-9-20/h3-7,14,18,20H,8-13,15-17H2,1-2H3/t18-/m0/s1
InChIKeyLCZURGNBKGLBAW-SFHVURJKSA-N
MW408.55 g/mol
LogP3.89
Rot. Bonds6

About 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 95870678) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID95870678
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESC[C@@H](CN1CC2(CCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O)c1ccccc1
InChIInChI=1S/C24H32N4O2/c1-18(19-6-4-3-5-7-19)15-28-17-24(30-23(28)29)10-12-27(13-11-24)16-21-14-25-26(2)22(21)20-8-9-20/h3-7,14,18,20H,8-13,15-17H2,1-2H3/t18-/m0/s1
InChIKeyLCZURGNBKGLBAW-SFHVURJKSA-N
XLogP3.89
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Launch Full Analysis

Related Compounds

Tert-butyl 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperazine-1-carboxylate
CID 155521275
US11142526, Example 6
CID 137533016
US11142526, Example 221
CID 137533186
7-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56893094
1-{[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(1-pyrrolidinylcarbonyl)piperidine
CID 42393969
7-{[1-(4-isopropylphenyl)-1H-pyrazol-4-yl]methyl}-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
CID 56903287
Tert-butyl 2-(1-benzyl-3-methylpyrazol-4-yl)-4-propanoylpiperazine-1-carboxylate
CID 129211996
N-[1-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-4-yl]-2-(4-fluorophenyl)ethyl]-2-methoxy-N-methylacetamide
CID 126466825
1-[4-[1-[(1,3-Dimethylpyrazol-4-yl)methyl-methylamino]-2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-methoxyethanone
CID 126467415
{[4-({1-[(1,5-Dimethyl-1H-pyrazol-4-YL)methyl]piperidin-4-YL}methyl)phenyl]methyl}(2-methoxyethyl)methylamine
CID 132441915
2-(dimethylamino)ethyl 4-[5-cyclopropyl-4-[(3S)-3-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 15947263
Tert-butyl 3-[1-[4-(1,3-diethyl-5-methylpyrazol-4-yl)piperidin-1-yl]ethyl]-4-(3-fluorophenyl)pyrrolidine-1-carboxylate
CID 21912767

Frequently Asked Questions

What is the IUPAC name of 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 95870678) is 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is C[C@@H](CN1CC2(CCN(Cc3cnn(C)c3C3CC3)CC2)OC1=O)c1ccccc1.
What is the InChIKey of 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LCZURGNBKGLBAW-SFHVURJKSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-18(19-6-4-3-5-7-19)15-28-17-24(30-23(28)29)10-12-27(13-11-24)16-21-14-25-26(2)22(21)20-8-9-20/h3-7,14,18,20H,8-13,15-17H2,1-2H3/t18-/m0/s1.
What are the key properties of 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 408.55 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-cyclopropyl-1-methylpyrazol-4-yl)methyl]-3-[(2R)-2-phenylpropyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95870678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).