2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

C18H24F2N4O — CID 131694845

IUPAC2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cncc(CN2CC(F)(F)CC3(CCN(CC4CC4)C3=O)C2)n1
InChIInChI=1S/C18H24F2N4O/c1-13-6-21-7-15(22-13)9-23-11-17(10-18(19,20)12-23)4-5-24(16(17)25)8-14-2-3-14/h6-7,14H,2-5,8-12H2,1H3
InChIKeyJZMNKBVDPVXSCY-UHFFFAOYSA-N
MW350.41 g/mol
LogP2.25
Rot. Bonds4

About 2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one

2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131694845) has the molecular formula C18H24F2N4O and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131694845
Molecular FormulaC18H24F2N4O
Molecular Weight350.41 g/mol
Exact Mass350.19
IUPAC Name2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one
SMILESCc1cncc(CN2CC(F)(F)CC3(CCN(CC4CC4)C3=O)C2)n1
InChIInChI=1S/C18H24F2N4O/c1-13-6-21-7-15(22-13)9-23-11-17(10-18(19,20)12-23)4-5-24(16(17)25)8-14-2-3-14/h6-7,14H,2-5,8-12H2,1H3
InChIKeyJZMNKBVDPVXSCY-UHFFFAOYSA-N
XLogP2.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.41
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-(cyclopropylcarbonyl)-N-methyl-N-(pyrazin-2-ylmethyl)-1,4'-bipiperidine-3-carboxamide
CID 56861391
(5S)-7-(cyclobutylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25280748
(6R)-8-(3-cyclopropylpropanoyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96402823
(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(3,3,3-trifluoropropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97124921
(1R,2S,5S)-N-(2-amino-2-oxo-1-pyrazin-2-ylethyl)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 169194382
(1R,2S,5S)-N-(2-amino-2-oxo-1-pyrazin-2-ylethyl)-3-[3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170168352
2-[(5-Methylpyrazin-2-YL)methyl]-9-(3,3,3-trifluoropropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72843660
2-[(5-Methylpyrazin-2-YL)methyl]-8-(4,4,4-trifluorobutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72845991
2-[(5-Methylpyrazin-2-YL)methyl]-8-(3,3,3-trifluoropropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 72873419
(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(4,4,4-trifluorobutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97110265
(6R)-2-[(5-methylpyrazin-2-yl)methyl]-8-(4,4,4-trifluorobutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97110266
(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-(3,3,3-trifluoropropanoyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 97124920

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one (CID 131694845) is 2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is Cc1cncc(CN2CC(F)(F)CC3(CCN(CC4CC4)C3=O)C2)n1.
What is the InChIKey of 2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is JZMNKBVDPVXSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2N4O/c1-13-6-21-7-15(22-13)9-23-11-17(10-18(19,20)12-23)4-5-24(16(17)25)8-14-2-3-14/h6-7,14H,2-5,8-12H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one?
2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 350.41 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-7,7-difluoro-9-[(6-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131694845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).