1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile

C17H19F2N5O — CID 134077539

IUPAC1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(F)(F)C3(CCN(c4cnccn4)C3)C2)CC1
InChIInChI=1S/C17H19F2N5O/c18-17(19)4-8-24(14(25)15(10-20)1-2-15)12-16(17)3-7-23(11-16)13-9-21-5-6-22-13/h5-6,9H,1-4,7-8,11-12H2
InChIKeyFLCNNMMWWUKNLY-UHFFFAOYSA-N
MW347.37 g/mol
LogP1.84
Rot. Bonds2

About 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile

1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile (PubChem CID 134077539) has the molecular formula C17H19F2N5O and a molecular weight of 347.37 g/mol. Its IUPAC name is 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile
PubChem CID134077539
Molecular FormulaC17H19F2N5O
Molecular Weight347.37 g/mol
Exact Mass347.16
IUPAC Name1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(F)(F)C3(CCN(c4cnccn4)C3)C2)CC1
InChIInChI=1S/C17H19F2N5O/c18-17(19)4-8-24(14(25)15(10-20)1-2-15)12-16(17)3-7-23(11-16)13-9-21-5-6-22-13/h5-6,9H,1-4,7-8,11-12H2
InChIKeyFLCNNMMWWUKNLY-UHFFFAOYSA-N
XLogP1.84
TPSA73.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3aR,7aR)-5-pyrazin-2-yl-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridin-2-yl]-2-cyclopropylethanone
CID 97508726
Cyclopropyl-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 131638562
9-(Cyclopropylmethyl)-6,6-difluoro-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 131645863
2-[3-(1H-imidazol-1-yl)propyl]-9-(3,3,3-trifluoropropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72892540
2-[3-(1H-imidazol-1-yl)propyl]-9-(3,3,3-trifluoro-2-methylpropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72901774
2-(3-imidazol-1-ylpropyl)-9-[(2S)-3,3,3-trifluoro-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97201428
2-(3-imidazol-1-ylpropyl)-9-[(2R)-3,3,3-trifluoro-2-methylpropyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97201429
cyclopropyl-[(5R)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97502436
cyclopropyl-[(5S)-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 97502437
(5S)-10,10-difluoro-N,N-dimethyl-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97502446
(5R)-10,10-difluoro-N,N-dimethyl-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97502447
(5R)-N-cyclopropyl-10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 97502448

Frequently Asked Questions

What is the IUPAC name of 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile?
The IUPAC name of 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile (CID 134077539) is 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile?
The canonical SMILES for 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile is N#CC1(C(=O)N2CCC(F)(F)C3(CCN(c4cnccn4)C3)C2)CC1.
What is the InChIKey of 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile?
The InChIKey is FLCNNMMWWUKNLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N5O/c18-17(19)4-8-24(14(25)15(10-20)1-2-15)12-16(17)3-7-23(11-16)13-9-21-5-6-22-13/h5-6,9H,1-4,7-8,11-12H2.
What are the key properties of 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile?
1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile has a molecular weight of 347.37 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10,10-difluoro-2-pyrazin-2-yl-2,7-diazaspiro[4.5]decane-7-carbonyl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 134077539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).