(6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone

C20H19ClF2N4O — CID 57401861

IUPAC(6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cnn2cc(Cl)ccc12)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H19ClF2N4O/c21-15-2-4-19-17(12-24-27(19)13-15)20(28)26-9-7-25(8-10-26)6-5-14-1-3-16(22)11-18(14)23/h1-4,11-13H,5-10H2
InChIKeyWBJYTHVWNGOCMX-UHFFFAOYSA-N
MW404.85 g/mol
LogP3.27
Rot. Bonds4

About (6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone

(6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone (PubChem CID 57401861) has the molecular formula C20H19ClF2N4O and a molecular weight of 404.85 g/mol. Its IUPAC name is (6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
PubChem CID57401861
Molecular FormulaC20H19ClF2N4O
Molecular Weight404.85 g/mol
Exact Mass404.12
IUPAC Name(6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone
SMILESO=C(c1cnn2cc(Cl)ccc12)N1CCN(CCc2ccc(F)cc2F)CC1
InChIInChI=1S/C20H19ClF2N4O/c21-15-2-4-19-17(12-24-27(19)13-15)20(28)26-9-7-25(8-10-26)6-5-14-1-3-16(22)11-18(14)23/h1-4,11-13H,5-10H2
InChIKeyWBJYTHVWNGOCMX-UHFFFAOYSA-N
XLogP3.27
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone (CID 57401861) is (6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone is O=C(c1cnn2cc(Cl)ccc12)N1CCN(CCc2ccc(F)cc2F)CC1.
What is the InChIKey of (6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
The InChIKey is WBJYTHVWNGOCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClF2N4O/c21-15-2-4-19-17(12-24-27(19)13-15)20(28)26-9-7-25(8-10-26)6-5-14-1-3-16(22)11-18(14)23/h1-4,11-13H,5-10H2.
What are the key properties of (6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone?
(6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone has a molecular weight of 404.85 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazolo[1,5-a]pyridin-3-yl)-[4-[2-(2,4-difluorophenyl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 57401861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).