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

C25H19FN4 — CID 10294033

IUPACN-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
SMILESFc1ccc(-c2nn3ccccc3c2-c2ccnc(NCc3ccccc3)c2)cc1
InChIInChI=1S/C25H19FN4/c26-21-11-9-19(10-12-21)25-24(22-8-4-5-15-30(22)29-25)20-13-14-27-23(16-20)28-17-18-6-2-1-3-7-18/h1-16H,17H2,(H,27,28)
InChIKeyCBJHFWBPOUDISP-UHFFFAOYSA-N
MW394.45 g/mol
LogP5.81
Rot. Bonds5

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

N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine (PubChem CID 10294033) has the molecular formula C25H19FN4 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
PubChem CID10294033
Molecular FormulaC25H19FN4
Molecular Weight394.45 g/mol
Exact Mass394.16
IUPAC NameN-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine
SMILESFc1ccc(-c2nn3ccccc3c2-c2ccnc(NCc3ccccc3)c2)cc1
InChIInChI=1S/C25H19FN4/c26-21-11-9-19(10-12-21)25-24(22-8-4-5-15-30(22)29-25)20-13-14-27-23(16-20)28-17-18-6-2-1-3-7-18/h1-16H,17H2,(H,27,28)
InChIKeyCBJHFWBPOUDISP-UHFFFAOYSA-N
XLogP5.81
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.45
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
The IUPAC name of N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine (CID 10294033) is N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine.
What is the SMILES notation for N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
The canonical SMILES for N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine is Fc1ccc(-c2nn3ccccc3c2-c2ccnc(NCc3ccccc3)c2)cc1.
What is the InChIKey of N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
The InChIKey is CBJHFWBPOUDISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4/c26-21-11-9-19(10-12-21)25-24(22-8-4-5-15-30(22)29-25)20-13-14-27-23(16-20)28-17-18-6-2-1-3-7-18/h1-16H,17H2,(H,27,28).
What are the key properties of N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine?
N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine has a molecular weight of 394.45 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]pyridin-2-amine is sourced from PubChem (CID 10294033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).