1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]

C25H24FN5 — CID 168944224

IUPAC1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]
SMILESCc1nc(N2CCC3(CC2)Cc2ccncc2C3)c2ccnn2c1-c1ccccc1F
InChIInChI=1S/C25H24FN5/c1-17-23(20-4-2-3-5-21(20)26)31-22(7-11-28-31)24(29-17)30-12-8-25(9-13-30)14-18-6-10-27-16-19(18)15-25/h2-7,10-11,16H,8-9,12-15H2,1H3
InChIKeyCBAVIPIVMVFDHE-UHFFFAOYSA-N
MW413.50 g/mol
LogP4.62
Rot. Bonds2

About 1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]

1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine] (PubChem CID 168944224) has the molecular formula C25H24FN5 and a molecular weight of 413.50 g/mol. Its IUPAC name is 1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine].

Molecular Properties

Compound Name1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]
PubChem CID168944224
Molecular FormulaC25H24FN5
Molecular Weight413.50 g/mol
Exact Mass413.20
IUPAC Name1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]
SMILESCc1nc(N2CCC3(CC2)Cc2ccncc2C3)c2ccnn2c1-c1ccccc1F
InChIInChI=1S/C25H24FN5/c1-17-23(20-4-2-3-5-21(20)26)31-22(7-11-28-31)24(29-17)30-12-8-25(9-13-30)14-18-6-10-27-16-19(18)15-25/h2-7,10-11,16H,8-9,12-15H2,1H3
InChIKeyCBAVIPIVMVFDHE-UHFFFAOYSA-N
XLogP4.62
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]?
The IUPAC name of 1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine] (CID 168944224) is 1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine].
What is the SMILES notation for 1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]?
The canonical SMILES for 1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine] is Cc1nc(N2CCC3(CC2)Cc2ccncc2C3)c2ccnn2c1-c1ccccc1F.
What is the InChIKey of 1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]?
The InChIKey is CBAVIPIVMVFDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5/c1-17-23(20-4-2-3-5-21(20)26)31-22(7-11-28-31)24(29-17)30-12-8-25(9-13-30)14-18-6-10-27-16-19(18)15-25/h2-7,10-11,16H,8-9,12-15H2,1H3.
What are the key properties of 1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine]?
1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine] has a molecular weight of 413.50 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[7-(2-fluorophenyl)-6-methylpyrazolo[1,5-a]pyrazin-4-yl]spiro[5,7-dihydrocyclopenta[c]pyridine-6,4'-piperidine] is sourced from PubChem (CID 168944224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).