2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone

C17H22F2N4O — CID 131649680

IUPAC2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
SMILESO=C(CC1CC1)N1CCC(F)(F)C2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H22F2N4O/c18-17(19)5-9-22(14(24)10-13-2-3-13)11-16(17)4-8-23(12-16)15-20-6-1-7-21-15/h1,6-7,13H,2-5,8-12H2
InChIKeyGKVMEPAAFIQCHF-UHFFFAOYSA-N
MW336.39 g/mol
LogP2.34
Rot. Bonds3

About 2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone

2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone (PubChem CID 131649680) has the molecular formula C17H22F2N4O and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone.

Molecular Properties

Compound Name2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
PubChem CID131649680
Molecular FormulaC17H22F2N4O
Molecular Weight336.39 g/mol
Exact Mass336.18
IUPAC Name2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone
SMILESO=C(CC1CC1)N1CCC(F)(F)C2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C17H22F2N4O/c18-17(19)5-9-22(14(24)10-13-2-3-13)11-16(17)4-8-23(12-16)15-20-6-1-7-21-15/h1,6-7,13H,2-5,8-12H2
InChIKeyGKVMEPAAFIQCHF-UHFFFAOYSA-N
XLogP2.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 131655840
(5S)-6,6-difluoro-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 97399379
1-(4,4-difluoropiperidin-1-yl)-2-[1-(3-fluoro-2-pyridinyl)piperidin-4-yl]ethanone
CID 171992794
1-(3,3-difluoropyrrolidin-1-yl)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrrolidin-2-yl]ethanone
CID 123818259
1-[10,10-difluoro-2-(6-methylpyridazin-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-2-(dimethylamino)ethanone
CID 134077898
(10,10-difluoro-2-phenyl-2,7-diazaspiro[4.5]decan-7-yl)-(1,2-oxazol-5-yl)methanone
CID 134077534
9-(cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 155834003
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119827979
1-(4,4-difluoropiperidin-1-yl)-2-[1-(5-methoxypyrimidin-2-yl)piperidin-4-yl]ethanone
CID 171993025
oxan-4-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97370007
2-(1-pyrimidin-2-ylpiperidin-4-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 66879902

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone?
The IUPAC name of 2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone (CID 131649680) is 2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone.
What is the SMILES notation for 2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone?
The canonical SMILES for 2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone is O=C(CC1CC1)N1CCC(F)(F)C2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of 2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone?
The InChIKey is GKVMEPAAFIQCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N4O/c18-17(19)5-9-22(14(24)10-13-2-3-13)11-16(17)4-8-23(12-16)15-20-6-1-7-21-15/h1,6-7,13H,2-5,8-12H2.
What are the key properties of 2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone?
2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone has a molecular weight of 336.39 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(10,10-difluoro-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)ethanone is sourced from PubChem (CID 131649680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).