N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine

C28H31FN6O — CID 10277876

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine
SMILESCOc1cc(NC2CCCC2)n2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1
InChIInChI=1S/C28H31FN6O/c1-36-22-16-24-26(23-14-15-30-28(33-23)32-21-8-4-5-9-21)27(18-10-12-19(29)13-11-18)34-35(24)25(17-22)31-20-6-2-3-7-20/h10-17,20-21,31H,2-9H2,1H3,(H,30,32,33)
InChIKeyPXFIELOSJDWIRS-UHFFFAOYSA-N
MW486.60 g/mol
LogP6.32
Rot. Bonds7

About N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine (PubChem CID 10277876) has the molecular formula C28H31FN6O and a molecular weight of 486.60 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine
PubChem CID10277876
Molecular FormulaC28H31FN6O
Molecular Weight486.60 g/mol
Exact Mass486.25
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine
SMILESCOc1cc(NC2CCCC2)n2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1
InChIInChI=1S/C28H31FN6O/c1-36-22-16-24-26(23-14-15-30-28(33-23)32-21-8-4-5-9-21)27(18-10-12-19(29)13-11-18)34-35(24)25(17-22)31-20-6-2-3-7-20/h10-17,20-21,31H,2-9H2,1H3,(H,30,32,33)
InChIKeyPXFIELOSJDWIRS-UHFFFAOYSA-N
XLogP6.32
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.60
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine (CID 10277876) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine is COc1cc(NC2CCCC2)n2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is PXFIELOSJDWIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6O/c1-36-22-16-24-26(23-14-15-30-28(33-23)32-21-8-4-5-9-21)27(18-10-12-19(29)13-11-18)34-35(24)25(17-22)31-20-6-2-3-7-20/h10-17,20-21,31H,2-9H2,1H3,(H,30,32,33).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 486.60 g/mol, XLogP of 6.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-methoxypyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 10277876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).