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

C26H26FN5O — CID 168944229

IUPAC[7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol
SMILESCc1nc(N2CCC3(CC2)Cc2cccnc2C3)c2c(CO)cnn2c1-c1ccccc1F
InChIInChI=1S/C26H26FN5O/c1-17-23(20-6-2-3-7-21(20)27)32-24(19(16-33)15-29-32)25(30-17)31-11-8-26(9-12-31)13-18-5-4-10-28-22(18)14-26/h2-7,10,15,33H,8-9,11-14,16H2,1H3
InChIKeyWRFJCQHDNLKQLR-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.12
Rot. Bonds3

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

[7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol (PubChem CID 168944229) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is [7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol.

Molecular Properties

Compound Name[7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol
PubChem CID168944229
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name[7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol
SMILESCc1nc(N2CCC3(CC2)Cc2cccnc2C3)c2c(CO)cnn2c1-c1ccccc1F
InChIInChI=1S/C26H26FN5O/c1-17-23(20-6-2-3-7-21(20)27)32-24(19(16-33)15-29-32)25(30-17)31-11-8-26(9-12-31)13-18-5-4-10-28-22(18)14-26/h2-7,10,15,33H,8-9,11-14,16H2,1H3
InChIKeyWRFJCQHDNLKQLR-UHFFFAOYSA-N
XLogP4.12
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol?
The IUPAC name of [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) is [7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol.
What is the SMILES notation for [7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol?
The canonical SMILES for [7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol is Cc1nc(N2CCC3(CC2)Cc2cccnc2C3)c2c(CO)cnn2c1-c1ccccc1F.
What is the InChIKey of [7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol?
The InChIKey is WRFJCQHDNLKQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-17-23(20-6-2-3-7-21(20)27)32-24(19(16-33)15-29-32)25(30-17)31-11-8-26(9-12-31)13-18-5-4-10-28-22(18)14-26/h2-7,10,15,33H,8-9,11-14,16H2,1H3.
What are the key properties of [7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol?
[7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol has a molecular weight of 443.53 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(2-fluorophenyl)-6-methyl-4-spiro[5,7-dihydrocyclopenta[b]pyridine-6,4'-piperidine]-1'-ylpyrazolo[1,5-a]pyrazin-3-yl]methanol is sourced from PubChem (CID 168944229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).