(4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol

C24H29N3O2 — CID 165428621

IUPAC(4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@]3(CCC[C@H]3O)C2)o1
InChIInChI=1S/C24H29N3O2/c1-18-10-11-21(29-18)23-19(16-27(25-23)20-7-3-2-4-8-20)15-26-14-6-13-24(17-26)12-5-9-22(24)28/h2-4,7-8,10-11,16,22,28H,5-6,9,12-15,17H2,1H3/t22-,24+/m1/s1
InChIKeyGHUJTSNACHNBPP-VWNXMTODSA-N
MW391.52 g/mol
LogP4.57
Rot. Bonds4

About (4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol

(4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol (PubChem CID 165428621) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol.

Molecular Properties

Compound Name(4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol
PubChem CID165428621
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@]3(CCC[C@H]3O)C2)o1
InChIInChI=1S/C24H29N3O2/c1-18-10-11-21(29-18)23-19(16-27(25-23)20-7-3-2-4-8-20)15-26-14-6-13-24(17-26)12-5-9-22(24)28/h2-4,7-8,10-11,16,22,28H,5-6,9,12-15,17H2,1H3/t22-,24+/m1/s1
InChIKeyGHUJTSNACHNBPP-VWNXMTODSA-N
XLogP4.57
TPSA54.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6S,11S)-2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol
CID 164695792
(6S,11S)-2-[(1-phenyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-11-ol;dihydrochloride
CID 171316660
(1S,5R)-6-methyl-3-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 72865339
2-tert-butyl-6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911597
(4R,5S)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 135089439
6-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24911600
(4R,5R)-7-[(1-ethylindol-4-yl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 165417589
(4R,5R)-7-[(2,6-dichlorophenyl)methyl]-7-azaspiro[4.5]decan-4-ol
CID 135091462
azepan-1-yl-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 35810069
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methanone
CID 120816910
formic acid;(4R,5R)-7-(2-phenylethyl)-7-azaspiro[4.5]decan-4-ol
CID 154915709
(4R,5R)-7-[[4-(2-methylphenyl)phenyl]methyl]-7-azaspiro[4.5]decan-4-ol
CID 135110130

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol?
The IUPAC name of (4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol (CID 165428621) is (4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol.
What is the SMILES notation for (4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol?
The canonical SMILES for (4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol is Cc1ccc(-c2nn(-c3ccccc3)cc2CN2CCC[C@@]3(CCC[C@H]3O)C2)o1.
What is the InChIKey of (4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol?
The InChIKey is GHUJTSNACHNBPP-VWNXMTODSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18-10-11-21(29-18)23-19(16-27(25-23)20-7-3-2-4-8-20)15-26-14-6-13-24(17-26)12-5-9-22(24)28/h2-4,7-8,10-11,16,22,28H,5-6,9,12-15,17H2,1H3/t22-,24+/m1/s1.
What are the key properties of (4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol?
(4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol has a molecular weight of 391.52 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-7-[[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]methyl]-7-azaspiro[4.5]decan-4-ol is sourced from PubChem (CID 165428621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).