3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide

C26H30FN7O — CID 170221957

IUPAC3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide
SMILESCC1(C)Cc2c(-c3ccc(F)c(-c4cnc(N)c(C(=O)NC5CCC6(CC6)NC5)n4)c3)cnn2C1
InChIInChI=1S/C26H30FN7O/c1-25(2)10-21-18(12-31-34(21)14-25)15-3-4-19(27)17(9-15)20-13-29-23(28)22(33-20)24(35)32-16-5-6-26(7-8-26)30-11-16/h3-4,9,12-13,16,30H,5-8,10-11,14H2,1-2H3,(H2,28,29)(H,32,35)
InChIKeyDAWMRKUCPLBMPK-UHFFFAOYSA-N
MW475.57 g/mol
LogP3.33
Rot. Bonds4

About 3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide

3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide (PubChem CID 170221957) has the molecular formula C26H30FN7O and a molecular weight of 475.57 g/mol. Its IUPAC name is 3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide
PubChem CID170221957
Molecular FormulaC26H30FN7O
Molecular Weight475.57 g/mol
Exact Mass475.25
IUPAC Name3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide
SMILESCC1(C)Cc2c(-c3ccc(F)c(-c4cnc(N)c(C(=O)NC5CCC6(CC6)NC5)n4)c3)cnn2C1
InChIInChI=1S/C26H30FN7O/c1-25(2)10-21-18(12-31-34(21)14-25)15-3-4-19(27)17(9-15)20-13-29-23(28)22(33-20)24(35)32-16-5-6-26(7-8-26)30-11-16/h3-4,9,12-13,16,30H,5-8,10-11,14H2,1-2H3,(H2,28,29)(H,32,35)
InChIKeyDAWMRKUCPLBMPK-UHFFFAOYSA-N
XLogP3.33
TPSA110.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.57
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-6-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]-N-(1,4-oxazepan-6-yl)pyrazine-2-carboxamide
CID 170222109
3-amino-6-[2-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-4-pyridinyl]-N-(4-hydroxypyrrolidin-3-yl)pyrazine-2-carboxamide
CID 170222065
3-amino-6-[2-fluoro-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]phenyl]-N-[(4R)-4-hydroxypyrrolidin-3-yl]pyrazine-2-carboxamide
CID 177372848
3-[3-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)phenyl]pyrazine-2-carboxamide
CID 176780936
3-amino-6-[3-[[(4-chlorophenyl)sulfonylamino]methyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68650722
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CID 156514188
3-amino-N-(5,5-difluoropiperidin-3-yl)-6-[5-fluoro-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4-pyridinyl]pyrazine-2-carboxamide
CID 170221810
3-amino-6-[3-[(2,3-difluorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-piperidin-3-yl]pyrazine-2-carboxamide
CID 68651209
3-amino-6-[2-[2-amino-1-(3,3-dimethyl-2,4-dihydropyrrol-5-yl)ethenyl]-4-pyridinyl]-N-(5-fluoropiperidin-3-yl)pyrazine-2-carboxamide
CID 174115980
3-amino-6-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-N-[(3S)-pyrrolidin-3-yl]pyrazine-2-carboxamide
CID 68650950
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CID 68650312
3-amino-N-cyclohexyl-6-(4-methylsulfonylphenyl)pyrazine-2-carboxamide
CID 52937662

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide (CID 170221957) is 3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide is CC1(C)Cc2c(-c3ccc(F)c(-c4cnc(N)c(C(=O)NC5CCC6(CC6)NC5)n4)c3)cnn2C1.
What is the InChIKey of 3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide?
The InChIKey is DAWMRKUCPLBMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN7O/c1-25(2)10-21-18(12-31-34(21)14-25)15-3-4-19(27)17(9-15)20-13-29-23(28)22(33-20)24(35)32-16-5-6-26(7-8-26)30-11-16/h3-4,9,12-13,16,30H,5-8,10-11,14H2,1-2H3,(H2,28,29)(H,32,35).
What are the key properties of 3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide?
3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide has a molecular weight of 475.57 g/mol, XLogP of 3.33, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-azaspiro[2.5]octan-6-yl)-6-[5-(5,5-dimethyl-4,6-dihydropyrrolo[2,1-e]pyrazol-3-yl)-2-fluorophenyl]pyrazine-2-carboxamide is sourced from PubChem (CID 170221957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).