[2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol

C28H31FN6O — CID 10184686

IUPAC[2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol
SMILESOCc1cc(-c2c(-c3ccc(F)cc3)nn3c(NC4CCCC4)cccc23)nc(NC2CCCC2)n1
InChIInChI=1S/C28H31FN6O/c29-19-14-12-18(13-15-19)27-26(23-16-22(17-36)32-28(33-23)31-21-8-3-4-9-21)24-10-5-11-25(35(24)34-27)30-20-6-1-2-7-20/h5,10-16,20-21,30,36H,1-4,6-9,17H2,(H,31,32,33)
InChIKeyNMGBNZIPZPBKAJ-UHFFFAOYSA-N
MW486.60 g/mol
LogP5.80
Rot. Bonds7

About [2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol

[2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol (PubChem CID 10184686) has the molecular formula C28H31FN6O and a molecular weight of 486.60 g/mol. Its IUPAC name is [2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol
PubChem CID10184686
Molecular FormulaC28H31FN6O
Molecular Weight486.60 g/mol
Exact Mass486.25
IUPAC Name[2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol
SMILESOCc1cc(-c2c(-c3ccc(F)cc3)nn3c(NC4CCCC4)cccc23)nc(NC2CCCC2)n1
InChIInChI=1S/C28H31FN6O/c29-19-14-12-18(13-15-19)27-26(23-16-22(17-36)32-28(33-23)31-21-8-3-4-9-21)24-10-5-11-25(35(24)34-27)30-20-6-1-2-7-20/h5,10-16,20-21,30,36H,1-4,6-9,17H2,(H,31,32,33)
InChIKeyNMGBNZIPZPBKAJ-UHFFFAOYSA-N
XLogP5.80
TPSA87.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 55.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol?
The IUPAC name of [2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol (CID 10184686) is [2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol?
The canonical SMILES for [2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol is OCc1cc(-c2c(-c3ccc(F)cc3)nn3c(NC4CCCC4)cccc23)nc(NC2CCCC2)n1.
What is the InChIKey of [2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol?
The InChIKey is NMGBNZIPZPBKAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O/c29-19-14-12-18(13-15-19)27-26(23-16-22(17-36)32-28(33-23)31-21-8-3-4-9-21)24-10-5-11-25(35(24)34-27)30-20-6-1-2-7-20/h5,10-16,20-21,30,36H,1-4,6-9,17H2,(H,31,32,33).
What are the key properties of [2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol?
[2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol has a molecular weight of 486.60 g/mol, XLogP of 5.80, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopentylamino)-6-[7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-yl]methanol is sourced from PubChem (CID 10184686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).