2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane

C22H31FN4 — CID 56710646

IUPAC2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCCn1cc(CN2CCC3(CCCN(Cc4ccccc4F)C3)C2)c(C)n1
InChIInChI=1S/C22H31FN4/c1-3-27-15-20(18(2)24-27)14-26-12-10-22(17-26)9-6-11-25(16-22)13-19-7-4-5-8-21(19)23/h4-5,7-8,15H,3,6,9-14,16-17H2,1-2H3
InChIKeyWHAVWWFEBFCHHI-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.84
Rot. Bonds5

About 2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane

2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane (PubChem CID 56710646) has the molecular formula C22H31FN4 and a molecular weight of 370.52 g/mol. Its IUPAC name is 2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane
PubChem CID56710646
Molecular FormulaC22H31FN4
Molecular Weight370.52 g/mol
Exact Mass370.25
IUPAC Name2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane
SMILESCCn1cc(CN2CCC3(CCCN(Cc4ccccc4F)C3)C2)c(C)n1
InChIInChI=1S/C22H31FN4/c1-3-27-15-20(18(2)24-27)14-26-12-10-22(17-26)9-6-11-25(16-22)13-19-7-4-5-8-21(19)23/h4-5,7-8,15H,3,6,9-14,16-17H2,1-2H3
InChIKeyWHAVWWFEBFCHHI-UHFFFAOYSA-N
XLogP3.84
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane with MolForge

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Related Compounds

9-[(2,3-difluorophenyl)methyl]-2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decane
CID 45206611
2-[(3-methyl-1-propylpyrazol-4-yl)methyl]-9-(3-phenylpropyl)-2,9-diazaspiro[4.5]decane
CID 45190723
(5R)-9-[(2-fluorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 42593843
7-[(2,3-difluorophenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45230882
(5S)-7-[(2-fluorophenyl)methyl]-2-(4,4,4-trifluorobutyl)-2,7-diazaspiro[4.5]decane
CID 42461609
methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate
CID 45221496
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25450891
3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 26395243
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-phenylpiperidine-4-carboxamide
CID 136568444
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 25373647
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,4-diazepane
CID 83890851
2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45187458

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane?
The IUPAC name of 2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane (CID 56710646) is 2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane is CCn1cc(CN2CCC3(CCCN(Cc4ccccc4F)C3)C2)c(C)n1.
What is the InChIKey of 2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane?
The InChIKey is WHAVWWFEBFCHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31FN4/c1-3-27-15-20(18(2)24-27)14-26-12-10-22(17-26)9-6-11-25(16-22)13-19-7-4-5-8-21(19)23/h4-5,7-8,15H,3,6,9-14,16-17H2,1-2H3.
What are the key properties of 2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane?
2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane has a molecular weight of 370.52 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane is sourced from PubChem (CID 56710646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).