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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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).