2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine

C25H25FN6 — CID 10113400

IUPAC2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
SMILESFc1ccc(-c2nn3c(N4CCCC4)cccc3c2-c2ccnc(N3CCCC3)n2)cc1
InChIInChI=1S/C25H25FN6/c26-19-10-8-18(9-11-19)24-23(20-12-13-27-25(28-20)31-16-3-4-17-31)21-6-5-7-22(32(21)29-24)30-14-1-2-15-30/h5-13H,1-4,14-17H2
InChIKeyBBCVQUQRQXCLCZ-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.80
Rot. Bonds4

About 2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine

2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine (PubChem CID 10113400) has the molecular formula C25H25FN6 and a molecular weight of 428.52 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
PubChem CID10113400
Molecular FormulaC25H25FN6
Molecular Weight428.52 g/mol
Exact Mass428.21
IUPAC Name2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine
SMILESFc1ccc(-c2nn3c(N4CCCC4)cccc3c2-c2ccnc(N3CCCC3)n2)cc1
InChIInChI=1S/C25H25FN6/c26-19-10-8-18(9-11-19)24-23(20-12-13-27-25(28-20)31-16-3-4-17-31)21-6-5-7-22(32(21)29-24)30-14-1-2-15-30/h5-13H,1-4,14-17H2
InChIKeyBBCVQUQRQXCLCZ-UHFFFAOYSA-N
XLogP4.80
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine (CID 10113400) is 2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine is Fc1ccc(-c2nn3c(N4CCCC4)cccc3c2-c2ccnc(N3CCCC3)n2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
The InChIKey is BBCVQUQRQXCLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6/c26-19-10-8-18(9-11-19)24-23(20-12-13-27-25(28-20)31-16-3-4-17-31)21-6-5-7-22(32(21)29-24)30-14-1-2-15-30/h5-13H,1-4,14-17H2.
What are the key properties of 2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine?
2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine has a molecular weight of 428.52 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-pyrrolidin-1-yl-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 10113400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).