4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

C20H27N5O2 — CID 169415091

IUPAC4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESCCN1CCN(CCOc2ccc(C3CC(=O)Nc4[nH]ncc43)cc2)CC1
InChIInChI=1S/C20H27N5O2/c1-2-24-7-9-25(10-8-24)11-12-27-16-5-3-15(4-6-16)17-13-19(26)22-20-18(17)14-21-23-20/h3-6,14,17H,2,7-13H2,1H3,(H2,21,22,23,26)
InChIKeyCXJFNAXNLXEXDR-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.90
Rot. Bonds6

About 4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one

4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (PubChem CID 169415091) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
PubChem CID169415091
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
SMILESCCN1CCN(CCOc2ccc(C3CC(=O)Nc4[nH]ncc43)cc2)CC1
InChIInChI=1S/C20H27N5O2/c1-2-24-7-9-25(10-8-24)11-12-27-16-5-3-15(4-6-16)17-13-19(26)22-20-18(17)14-21-23-20/h3-6,14,17H,2,7-13H2,1H3,(H2,21,22,23,26)
InChIKeyCXJFNAXNLXEXDR-UHFFFAOYSA-N
XLogP1.90
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one with MolForge

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Related Compounds

4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135637572
(4R)-4-(4-methylsulfanylphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902518
(4R)-4-[3-(2-methylpropoxy)phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135902215
1-ethyl-4-[2-(4-fluorophenoxy)ethyl]piperazine
CID 1301156
3-[4-[4-[4-(2,5-dioxopyrrolidin-3-yl)phenoxy]butoxy]phenyl]pyrrolidine-2,5-dione
CID 3071135
(4R)-4-(3-prop-2-ynoxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135950651
(4S)-4-(1-methylbenzotriazol-5-yl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 136737688
4-(3-propan-2-yloxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 135633978
2-[3-(6-oxo-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetamide
CID 135637602
4-(3-chloro-4-propan-2-yloxyphenyl)-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one
CID 170503365
1-ethyl-4-[2-(4-iodophenoxy)ethyl]piperazine
CID 1300408
1-[2-(4-bromophenoxy)ethyl]-4-ethylpiperazine
CID 60644690

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one (CID 169415091) is 4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is CCN1CCN(CCOc2ccc(C3CC(=O)Nc4[nH]ncc43)cc2)CC1.
What is the InChIKey of 4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
The InChIKey is CXJFNAXNLXEXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-2-24-7-9-25(10-8-24)11-12-27-16-5-3-15(4-6-16)17-13-19(26)22-20-18(17)14-21-23-20/h3-6,14,17H,2,7-13H2,1H3,(H2,21,22,23,26).
What are the key properties of 4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one?
4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one has a molecular weight of 369.47 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,4,5,7-tetrahydropyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 169415091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).