(2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone

C20H24F2N4O — CID 146070411

IUPAC(2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
SMILESCC(C)c1n[nH]c(C2CN(C(=O)c3ccc(F)cc3F)CC23CCCC3)n1
InChIInChI=1S/C20H24F2N4O/c1-12(2)17-23-18(25-24-17)15-10-26(11-20(15)7-3-4-8-20)19(27)14-6-5-13(21)9-16(14)22/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3,(H,23,24,25)
InChIKeyOVEWMHOWEYWYGA-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.01
Rot. Bonds3

About (2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone

(2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone (PubChem CID 146070411) has the molecular formula C20H24F2N4O and a molecular weight of 374.44 g/mol. Its IUPAC name is (2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
PubChem CID146070411
Molecular FormulaC20H24F2N4O
Molecular Weight374.44 g/mol
Exact Mass374.19
IUPAC Name(2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
SMILESCC(C)c1n[nH]c(C2CN(C(=O)c3ccc(F)cc3F)CC23CCCC3)n1
InChIInChI=1S/C20H24F2N4O/c1-12(2)17-23-18(25-24-17)15-10-26(11-20(15)7-3-4-8-20)19(27)14-6-5-13(21)9-16(14)22/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3,(H,23,24,25)
InChIKeyOVEWMHOWEYWYGA-UHFFFAOYSA-N
XLogP4.01
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-methoxy-2-methylphenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone
CID 146071003
N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579518
[2-cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2,4-difluorophenyl)methanone
CID 91922183
[4-(1-aminoethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone
CID 63595679
(4-amino-3,3-dimethylpiperidin-1-yl)-(2,4-difluorophenyl)methanone
CID 115276649
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-(2,4-difluorophenyl)methanone
CID 119316330
(3aS,6aS)-2-cyclopentyl-5-(2,4-difluorobenzoyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 72866439
(3aR,6aR)-2-cyclopentyl-5-(2,4-difluorobenzoyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 133135966
(2,4-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 588075
(2,5-dimethylthiophen-3-yl)-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)morpholin-4-yl]methanone
CID 71928746
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-(2,4-difluorophenyl)methanone
CID 45147487

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone?
The IUPAC name of (2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone (CID 146070411) is (2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone.
What is the SMILES notation for (2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone?
The canonical SMILES for (2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone is CC(C)c1n[nH]c(C2CN(C(=O)c3ccc(F)cc3F)CC23CCCC3)n1.
What is the InChIKey of (2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone?
The InChIKey is OVEWMHOWEYWYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N4O/c1-12(2)17-23-18(25-24-17)15-10-26(11-20(15)7-3-4-8-20)19(27)14-6-5-13(21)9-16(14)22/h5-6,9,12,15H,3-4,7-8,10-11H2,1-2H3,(H,23,24,25).
What are the key properties of (2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone?
(2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone has a molecular weight of 374.44 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-[4-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)-2-azaspiro[4.4]nonan-2-yl]methanone is sourced from PubChem (CID 146070411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).