2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

C21H27FN4O — CID 45187458

IUPAC2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1cc(CN2CCC3(CCCN(Cc4ccccc4F)C3=O)C2)cn1
InChIInChI=1S/C21H27FN4O/c1-2-26-14-17(12-23-26)13-24-11-9-21(16-24)8-5-10-25(20(21)27)15-18-6-3-4-7-19(18)22/h3-4,6-7,12,14H,2,5,8-11,13,15-16H2,1H3
InChIKeyVPNZFZHCCVXMQV-UHFFFAOYSA-N
MW370.47 g/mol
LogP3.06
Rot. Bonds5

About 2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one

2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 45187458) has the molecular formula C21H27FN4O and a molecular weight of 370.47 g/mol. Its IUPAC name is 2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
PubChem CID45187458
Molecular FormulaC21H27FN4O
Molecular Weight370.47 g/mol
Exact Mass370.22
IUPAC Name2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
SMILESCCn1cc(CN2CCC3(CCCN(Cc4ccccc4F)C3=O)C2)cn1
InChIInChI=1S/C21H27FN4O/c1-2-26-14-17(12-23-26)13-24-11-9-21(16-24)8-5-10-25(20(21)27)15-18-6-3-4-7-19(18)22/h3-4,6-7,12,14H,2,5,8-11,13,15-16H2,1H3
InChIKeyVPNZFZHCCVXMQV-UHFFFAOYSA-N
XLogP3.06
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one with MolForge

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Related Compounds

(5S)-7-[(2-fluorophenyl)methyl]-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 42510508
2-(5-ethylpyrimidin-2-yl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 119065189
(5S)-7-[(2-fluorophenyl)methyl]-2-(2-methylsulfanylacetyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25370197
N-[(1-ethylpyrazol-4-yl)methyl]-1-(2-fluorophenyl)methanamine
CID 19624929
(5R)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42392252
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(3-methylbutyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42392250
(5S)-7-[(2,3-difluorophenyl)methyl]-2-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 126426622
7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-imidazole-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45175530
3-[7-[(2,3-difluorophenyl)methyl]-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-N-ethylpropanamide
CID 119069233
7-[(2-fluorophenyl)methyl]-2-(4-methylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 119060331
(5S)-2-(1-aminocyclopropanecarbonyl)-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 126442122
7-[(2-fluorophenyl)methyl]-2-(5-methyl-1H-pyrazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45170196

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one (CID 45187458) is 2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is CCn1cc(CN2CCC3(CCCN(Cc4ccccc4F)C3=O)C2)cn1.
What is the InChIKey of 2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is VPNZFZHCCVXMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN4O/c1-2-26-14-17(12-23-26)13-24-11-9-21(16-24)8-5-10-25(20(21)27)15-18-6-3-4-7-19(18)22/h3-4,6-7,12,14H,2,5,8-11,13,15-16H2,1H3.
What are the key properties of 2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one?
2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 370.47 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrazol-4-yl)methyl]-7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 45187458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).