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

C28H31FN6S — CID 10300742

IUPACN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine
SMILESCSc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C28H31FN6S/c1-36-25-17-22(31-20-6-2-3-7-20)16-24-26(27(34-35(24)25)18-10-12-19(29)13-11-18)23-14-15-30-28(33-23)32-21-8-4-5-9-21/h10-17,20-21,31H,2-9H2,1H3,(H,30,32,33)
InChIKeyVLFRCSMLQCOKRA-UHFFFAOYSA-N
MW502.66 g/mol
LogP7.03
Rot. Bonds7

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

N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine (PubChem CID 10300742) has the molecular formula C28H31FN6S and a molecular weight of 502.66 g/mol. Its IUPAC name is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine
PubChem CID10300742
Molecular FormulaC28H31FN6S
Molecular Weight502.66 g/mol
Exact Mass502.23
IUPAC NameN-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine
SMILESCSc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C28H31FN6S/c1-36-25-17-22(31-20-6-2-3-7-20)16-24-26(27(34-35(24)25)18-10-12-19(29)13-11-18)23-14-15-30-28(33-23)32-21-8-4-5-9-21/h10-17,20-21,31H,2-9H2,1H3,(H,30,32,33)
InChIKeyVLFRCSMLQCOKRA-UHFFFAOYSA-N
XLogP7.03
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.66
LogP ≤ 57.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The IUPAC name of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine (CID 10300742) is N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine.
What is the SMILES notation for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The canonical SMILES for N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine is CSc1cc(NC2CCCC2)cc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
The InChIKey is VLFRCSMLQCOKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31FN6S/c1-36-25-17-22(31-20-6-2-3-7-20)16-24-26(27(34-35(24)25)18-10-12-19(29)13-11-18)23-14-15-30-28(33-23)32-21-8-4-5-9-21/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)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine?
N-cyclopentyl-3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine has a molecular weight of 502.66 g/mol, XLogP of 7.03, 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)-7-methylsulfanylpyrazolo[1,5-a]pyridin-5-amine is sourced from PubChem (CID 10300742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).