4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

C22H31N5O2 — CID 169419742

IUPAC4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCN1CCN(CCOc2ccccc2C2CC(=O)Nc3c2c(C)nn3C)CC1
InChIInChI=1S/C22H31N5O2/c1-4-26-9-11-27(12-10-26)13-14-29-19-8-6-5-7-17(19)18-15-20(28)23-22-21(18)16(2)24-25(22)3/h5-8,18H,4,9-15H2,1-3H3,(H,23,28)
InChIKeyPXLWIULDCRATHX-UHFFFAOYSA-N
MW397.52 g/mol
LogP2.22
Rot. Bonds6

About 4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one

4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 169419742) has the molecular formula C22H31N5O2 and a molecular weight of 397.52 g/mol. Its IUPAC name is 4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID169419742
Molecular FormulaC22H31N5O2
Molecular Weight397.52 g/mol
Exact Mass397.25
IUPAC Name4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCN1CCN(CCOc2ccccc2C2CC(=O)Nc3c2c(C)nn3C)CC1
InChIInChI=1S/C22H31N5O2/c1-4-26-9-11-27(12-10-26)13-14-29-19-8-6-5-7-17(19)18-15-20(28)23-22-21(18)16(2)24-25(22)3/h5-8,18H,4,9-15H2,1-3H3,(H,23,28)
InChIKeyPXLWIULDCRATHX-UHFFFAOYSA-N
XLogP2.22
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-dimethyl-4-[2-(3-piperidin-1-ylpropoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 171909605
(4S)-1,3-dimethyl-4-(2-propan-2-yloxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136826229
(4R)-1,3-dimethyl-4-naphthalen-1-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136733990
8-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]quinolin-6-one
CID 169413926
3-methyl-4-[2-(4-piperidin-1-ylbutoxy)phenyl]-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
CID 171913109
(4S)-3-methyl-4-[2-(2-methylpropoxy)phenyl]-1-(6-oxo-1H-pyridazin-3-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135878797
1-(4,6-dimethylpyrimidin-2-yl)-4-(2-methoxyphenyl)-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135584716
(4R)-1-(1,3-benzothiazol-2-yl)-3-methyl-4-[2-(2-phenylethoxy)phenyl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136888127
(4R)-4-(4-fluorophenyl)-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136892937
methyl 2-[2-(3-methyl-6-oxo-1-phenyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-4-yl)phenoxy]acetate
CID 171911246
4-(2-ethoxyphenyl)-3-methyl-1-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135823759
(4S)-1-(6-methoxypyridazin-3-yl)-3-methyl-4-(2-prop-2-enoxyphenyl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 135953718

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one (CID 169419742) is 4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is CCN1CCN(CCOc2ccccc2C2CC(=O)Nc3c2c(C)nn3C)CC1.
What is the InChIKey of 4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is PXLWIULDCRATHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2/c1-4-26-9-11-27(12-10-26)13-14-29-19-8-6-5-7-17(19)18-15-20(28)23-22-21(18)16(2)24-25(22)3/h5-8,18H,4,9-15H2,1-3H3,(H,23,28).
What are the key properties of 4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one?
4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 397.52 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]-1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 169419742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).