2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

C20H26ClN7O — CID 57420752

IUPAC2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCc2nn(-c3cncc(Cl)n3)cc2C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C20H26ClN7O/c21-18-10-22-11-19(23-18)28-13-15-12-25(5-4-17(15)24-28)14-20(29)27-8-6-26(7-9-27)16-2-1-3-16/h10-11,13,16H,1-9,12,14H2
InChIKeyISHDBNVFGWOWHW-UHFFFAOYSA-N
MW415.93 g/mol
LogP1.37
Rot. Bonds4

About 2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone

2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (PubChem CID 57420752) has the molecular formula C20H26ClN7O and a molecular weight of 415.93 g/mol. Its IUPAC name is 2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
PubChem CID57420752
Molecular FormulaC20H26ClN7O
Molecular Weight415.93 g/mol
Exact Mass415.19
IUPAC Name2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone
SMILESO=C(CN1CCc2nn(-c3cncc(Cl)n3)cc2C1)N1CCN(C2CCC2)CC1
InChIInChI=1S/C20H26ClN7O/c21-18-10-22-11-19(23-18)28-13-15-12-25(5-4-17(15)24-28)14-20(29)27-8-6-26(7-9-27)16-2-1-3-16/h10-11,13,16H,1-9,12,14H2
InChIKeyISHDBNVFGWOWHW-UHFFFAOYSA-N
XLogP1.37
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.93
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone (CID 57420752) is 2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is O=C(CN1CCc2nn(-c3cncc(Cl)n3)cc2C1)N1CCN(C2CCC2)CC1.
What is the InChIKey of 2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
The InChIKey is ISHDBNVFGWOWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN7O/c21-18-10-22-11-19(23-18)28-13-15-12-25(5-4-17(15)24-28)14-20(29)27-8-6-26(7-9-27)16-2-1-3-16/h10-11,13,16H,1-9,12,14H2.
What are the key properties of 2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone?
2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone has a molecular weight of 415.93 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-chloropyrazin-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-1-(4-cyclobutylpiperazin-1-yl)ethanone is sourced from PubChem (CID 57420752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).