3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride

C22H23Cl2FN6 — CID 131726109

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

3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride (PubChem CID 131726109) has the molecular formula C22H23Cl2FN6 and a molecular weight of 461.37 g/mol. Its IUPAC name is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride.

Molecular Properties

• Compound Name: 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride
• PubChem CID: 131726109
• Molecular Formula: C22H23Cl2FN6
• Molecular Weight: 461.37 g/mol
• Exact Mass: 460.13
• IUPAC Name: 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride
• SMILES: Cl.Cl.Nc1ccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn2c1
• InChI: InChI=1S/C22H21FN6.2ClH/c23-15-7-5-14(6-8-15)21-20(19-10-9-16(24)13-29(19)28-21)18-11-12-25-22(27-18)26-17-3-1-2-4-17;;/h5-13,17H,1-4,24H2,(H,25,26,27);2*1H
• InChIKey: GABHJCCRHBWYBC-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 81.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.37
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride?

The IUPAC name of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride (CID 131726109) is 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride.

What is the SMILES notation for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride?

The canonical SMILES for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride is Cl.Cl.Nc1ccc2c(-c3ccnc(NC4CCCC4)n3)c(-c3ccc(F)cc3)nn2c1.

What is the InChIKey of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride?

The InChIKey is GABHJCCRHBWYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6.2ClH/c23-15-7-5-14(6-8-15)21-20(19-10-9-16(24)13-29(19)28-21)18-11-12-25-22(27-18)26-17-3-1-2-4-17;;/h5-13,17H,1-4,24H2,(H,25,26,27);2*1H.

What are the key properties of 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride?

3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride has a molecular weight of 461.37 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(cyclopentylamino)pyrimidin-4-yl]-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-6-amine;dihydrochloride is sourced from PubChem (CID 131726109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).