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

C30H35FN6O — CID 24882506

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine
SMILESCC(C)Oc1cc(NC2CCCC2)n2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1
InChIInChI=1S/C30H35FN6O/c1-19(2)38-24-17-26-28(25-15-16-32-30(35-25)34-23-9-5-6-10-23)29(20-11-13-21(31)14-12-20)36-37(26)27(18-24)33-22-7-3-4-8-22/h11-19,22-23,33H,3-10H2,1-2H3,(H,32,34,35)
InChIKeyXRARPLHVFGATJQ-UHFFFAOYSA-N
MW514.65 g/mol
LogP7.09
Rot. Bonds8

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

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine (PubChem CID 24882506) has the molecular formula C30H35FN6O and a molecular weight of 514.65 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine
PubChem CID24882506
Molecular FormulaC30H35FN6O
Molecular Weight514.65 g/mol
Exact Mass514.29
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine
SMILESCC(C)Oc1cc(NC2CCCC2)n2nc(-c3ccc(F)cc3)c(-c3ccnc(NC4CCCC4)n3)c2c1
InChIInChI=1S/C30H35FN6O/c1-19(2)38-24-17-26-28(25-15-16-32-30(35-25)34-23-9-5-6-10-23)29(20-11-13-21(31)14-12-20)36-37(26)27(18-24)33-22-7-3-4-8-22/h11-19,22-23,33H,3-10H2,1-2H3,(H,32,34,35)
InChIKeyXRARPLHVFGATJQ-UHFFFAOYSA-N
XLogP7.09
TPSA76.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 57.09
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-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine (CID 24882506) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine is CC(C)Oc1cc(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-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is XRARPLHVFGATJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN6O/c1-19(2)38-24-17-26-28(25-15-16-32-30(35-25)34-23-9-5-6-10-23)29(20-11-13-21(31)14-12-20)36-37(26)27(18-24)33-22-7-3-4-8-22/h11-19,22-23,33H,3-10H2,1-2H3,(H,32,34,35).
What are the key properties of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-5-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 514.65 g/mol, XLogP of 7.09, 8 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-propan-2-yloxypyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 24882506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).