2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile

C26H23FN6 — CID 168944276

IUPAC2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile
SMILESCc1nc(N2CCC3(CC2)Cc2cccnc2C3)c2ccnn2c1-c1cccc(C#N)c1F
InChIInChI=1S/C26H23FN6/c1-17-24(20-6-2-4-19(16-28)23(20)27)33-22(7-11-30-33)25(31-17)32-12-8-26(9-13-32)14-18-5-3-10-29-21(18)15-26/h2-7,10-11H,8-9,12-15H2,1H3
InChIKeyARFIXVDUXYYUPR-UHFFFAOYSA-N
MW438.51 g/mol
LogP4.50
Rot. Bonds2

About 2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile

2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile (PubChem CID 168944276) has the molecular formula C26H23FN6 and a molecular weight of 438.51 g/mol. Its IUPAC name is 2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile
PubChem CID168944276
Molecular FormulaC26H23FN6
Molecular Weight438.51 g/mol
Exact Mass438.20
IUPAC Name2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile
SMILESCc1nc(N2CCC3(CC2)Cc2cccnc2C3)c2ccnn2c1-c1cccc(C#N)c1F
InChIInChI=1S/C26H23FN6/c1-17-24(20-6-2-4-19(16-28)23(20)27)33-22(7-11-30-33)25(31-17)32-12-8-26(9-13-32)14-18-5-3-10-29-21(18)15-26/h2-7,10-11H,8-9,12-15H2,1H3
InChIKeyARFIXVDUXYYUPR-UHFFFAOYSA-N
XLogP4.50
TPSA70.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1'-[7-(2,3-difluoro-4-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 168943952
1'-[7-(2-chloro-3-methoxyphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 168944053
1'-[7-(2-chlorothiophen-3-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 170101323
[7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol
CID 168944229
1'-[7-(3-fluoro-2-methyl-4-pyridinyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-5-methoxyspiro[1,3-dihydroindene-2,4'-piperidine];hydrochloride
CID 168944115
1'-[2-(difluoromethyl)-7-(1,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]
CID 168943979
3-[4-[(5S)-5-aminospiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-yl]-6-methylpyrazolo[1,5-a]pyrazin-7-yl]-1-methylpyridin-2-one
CID 168944147
(5S)-1'-[7-(2-fluoro-4-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine
CID 169450652
(5S)-1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-methylspiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-5-amine;hydrochloride
CID 169080051
8-[7-(2-chloro-3-methylphenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-2-oxa-8-azaspiro[4.5]decane;ethane;methanethiol
CID 142403897
(3S)-8-[7-(2,3-dichlorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decane
CID 170128548
(3R)-1'-[7-[3-fluoro-2-(trifluoromethyl)phenyl]-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[3H-furo[2,3-b]pyridine-2,4'-piperidine]-3-amine
CID 168944329

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile?
The IUPAC name of 2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile (CID 168944276) is 2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile?
The canonical SMILES for 2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile is Cc1nc(N2CCC3(CC2)Cc2cccnc2C3)c2ccnn2c1-c1cccc(C#N)c1F.
What is the InChIKey of 2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile?
The InChIKey is ARFIXVDUXYYUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6/c1-17-24(20-6-2-4-19(16-28)23(20)27)33-22(7-11-30-33)25(31-17)32-12-8-26(9-13-32)14-18-5-3-10-29-21(18)15-26/h2-7,10-11H,8-9,12-15H2,1H3.
What are the key properties of 2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile?
2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile has a molecular weight of 438.51 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-7-yl)benzonitrile is sourced from PubChem (CID 168944276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).