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

C25H25FN6 — CID 58775616

IUPAC4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESFc1cccc(-c2cc3c(-c4ccnc(NC5CCCC5)n4)ccc(NC4CC4)n3n2)c1
InChIInChI=1S/C25H25FN6/c26-17-5-3-4-16(14-17)22-15-23-20(10-11-24(32(23)31-22)28-19-8-9-19)21-12-13-27-25(30-21)29-18-6-1-2-7-18/h3-5,10-15,18-19,28H,1-2,6-9H2,(H,27,29,30)
InChIKeyRXXQPWUZJSMAQM-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.53
Rot. Bonds6

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

4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine (PubChem CID 58775616) has the molecular formula C25H25FN6 and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine.

Molecular Properties

Compound Name4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
PubChem CID58775616
Molecular FormulaC25H25FN6
Molecular Weight428.52 g/mol
Exact Mass428.21
IUPAC Name4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine
SMILESFc1cccc(-c2cc3c(-c4ccnc(NC5CCCC5)n4)ccc(NC4CC4)n3n2)c1
InChIInChI=1S/C25H25FN6/c26-17-5-3-4-16(14-17)22-15-23-20(10-11-24(32(23)31-22)28-19-8-9-19)21-12-13-27-25(30-21)29-18-6-1-2-7-18/h3-5,10-15,18-19,28H,1-2,6-9H2,(H,27,29,30)
InChIKeyRXXQPWUZJSMAQM-UHFFFAOYSA-N
XLogP5.53
TPSA67.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
The IUPAC name of 4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine (CID 58775616) is 4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine.
What is the SMILES notation for 4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
The canonical SMILES for 4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine is Fc1cccc(-c2cc3c(-c4ccnc(NC5CCCC5)n4)ccc(NC4CC4)n3n2)c1.
What is the InChIKey of 4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
The InChIKey is RXXQPWUZJSMAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6/c26-17-5-3-4-16(14-17)22-15-23-20(10-11-24(32(23)31-22)28-19-8-9-19)21-12-13-27-25(30-21)29-18-6-1-2-7-18/h3-5,10-15,18-19,28H,1-2,6-9H2,(H,27,29,30).
What are the key properties of 4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine?
4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine has a molecular weight of 428.52 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopentylamino)pyrimidin-4-yl]-N-cyclopropyl-2-(3-fluorophenyl)pyrazolo[1,5-a]pyridin-7-amine is sourced from PubChem (CID 58775616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).