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

C23H17FN6 — CID 10222368

IUPAC4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2nn3ccccc3c2-c2ccnc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C23H17FN6/c24-18-8-6-17(7-9-18)22-21(20-5-1-2-13-30(20)29-22)19-10-12-26-23(28-19)27-15-16-4-3-11-25-14-16/h1-14H,15H2,(H,26,27,28)
InChIKeyHIMLEKWRBWVOKM-UHFFFAOYSA-N
MW396.43 g/mol
LogP4.60
Rot. Bonds5

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

4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 10222368) has the molecular formula C23H17FN6 and a molecular weight of 396.43 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID10222368
Molecular FormulaC23H17FN6
Molecular Weight396.43 g/mol
Exact Mass396.15
IUPAC Name4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESFc1ccc(-c2nn3ccccc3c2-c2ccnc(NCc3cccnc3)n2)cc1
InChIInChI=1S/C23H17FN6/c24-18-8-6-17(7-9-18)22-21(20-5-1-2-13-30(20)29-22)19-10-12-26-23(28-19)27-15-16-4-3-11-25-14-16/h1-14H,15H2,(H,26,27,28)
InChIKeyHIMLEKWRBWVOKM-UHFFFAOYSA-N
XLogP4.60
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (CID 10222368) is 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is Fc1ccc(-c2nn3ccccc3c2-c2ccnc(NCc3cccnc3)n2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is HIMLEKWRBWVOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN6/c24-18-8-6-17(7-9-18)22-21(20-5-1-2-13-30(20)29-22)19-10-12-26-23(28-19)27-15-16-4-3-11-25-14-16/h1-14H,15H2,(H,26,27,28).
What are the key properties of 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 396.43 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 10222368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).