N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine

C23H22FN5S — CID 10180379

IUPACN-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCSc1cccc2c(-c3cc(NC4CCCC4)ncn3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C23H22FN5S/c1-30-21-8-4-7-19-22(23(28-29(19)21)15-9-11-16(24)12-10-15)18-13-20(26-14-25-18)27-17-5-2-3-6-17/h4,7-14,17H,2-3,5-6H2,1H3,(H,25,26,27)
InChIKeyKLRJIYIAXBHQAR-UHFFFAOYSA-N
MW419.53 g/mol
LogP5.67
Rot. Bonds5

About N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine

N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine (PubChem CID 10180379) has the molecular formula C23H22FN5S and a molecular weight of 419.53 g/mol. Its IUPAC name is N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine
PubChem CID10180379
Molecular FormulaC23H22FN5S
Molecular Weight419.53 g/mol
Exact Mass419.16
IUPAC NameN-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine
SMILESCSc1cccc2c(-c3cc(NC4CCCC4)ncn3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C23H22FN5S/c1-30-21-8-4-7-19-22(23(28-29(19)21)15-9-11-16(24)12-10-15)18-13-20(26-14-25-18)27-17-5-2-3-6-17/h4,7-14,17H,2-3,5-6H2,1H3,(H,25,26,27)
InChIKeyKLRJIYIAXBHQAR-UHFFFAOYSA-N
XLogP5.67
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.53
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-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-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine (CID 10180379) is N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine is CSc1cccc2c(-c3cc(NC4CCCC4)ncn3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine?
The InChIKey is KLRJIYIAXBHQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5S/c1-30-21-8-4-7-19-22(23(28-29(19)21)15-9-11-16(24)12-10-15)18-13-20(26-14-25-18)27-17-5-2-3-6-17/h4,7-14,17H,2-3,5-6H2,1H3,(H,25,26,27).
What are the key properties of N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine?
N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine has a molecular weight of 419.53 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[2-(4-fluorophenyl)-7-methylsulfanylpyrazolo[1,5-a]pyridin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 10180379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).