2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine

C25H25FN4O — CID 21027407

IUPAC2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
SMILESCN1CCCC1CCOc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C25H25FN4O/c1-29-16-3-4-21(29)13-17-31-23-6-2-5-22-24(18-11-14-27-15-12-18)25(28-30(22)23)19-7-9-20(26)10-8-19/h2,5-12,14-15,21H,3-4,13,16-17H2,1H3
InChIKeyQQRPDUPGDJYUTP-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.07
Rot. Bonds6

About 2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine

2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine (PubChem CID 21027407) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
PubChem CID21027407
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine
SMILESCN1CCCC1CCOc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12
InChIInChI=1S/C25H25FN4O/c1-29-16-3-4-21(29)13-17-31-23-6-2-5-22-24(18-11-14-27-15-12-18)25(28-30(22)23)19-7-9-20(26)10-8-19/h2,5-12,14-15,21H,3-4,13,16-17H2,1H3
InChIKeyQQRPDUPGDJYUTP-UHFFFAOYSA-N
XLogP5.07
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine (CID 21027407) is 2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine is CN1CCCC1CCOc1cccc2c(-c3ccncc3)c(-c3ccc(F)cc3)nn12.
What is the InChIKey of 2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine?
The InChIKey is QQRPDUPGDJYUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-29-16-3-4-21(29)13-17-31-23-6-2-5-22-24(18-11-14-27-15-12-18)25(28-30(22)23)19-7-9-20(26)10-8-19/h2,5-12,14-15,21H,3-4,13,16-17H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine?
2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine has a molecular weight of 416.50 g/mol, XLogP of 5.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-[2-(1-methylpyrrolidin-2-yl)ethoxy]-3-pyridin-4-ylpyrazolo[1,5-a]pyridine is sourced from PubChem (CID 21027407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).