7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one

C29H34N6O2 — CID 20961335

IUPAC7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1c(=O)c(CCC(=O)N2CCN(c3ccccn3)CC2)c(C)c2c(C)nn(-c3cccc(C)c3)c21
InChIInChI=1S/C29H34N6O2/c1-5-34-28-27(22(4)31-35(28)23-10-8-9-20(2)19-23)21(3)24(29(34)37)12-13-26(36)33-17-15-32(16-18-33)25-11-6-7-14-30-25/h6-11,14,19H,5,12-13,15-18H2,1-4H3
InChIKeyYGUNTYFWPGLOOU-UHFFFAOYSA-N
MW498.63 g/mol
LogP3.81
Rot. Bonds6

About 7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one

7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one (PubChem CID 20961335) has the molecular formula C29H34N6O2 and a molecular weight of 498.63 g/mol. Its IUPAC name is 7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one
PubChem CID20961335
Molecular FormulaC29H34N6O2
Molecular Weight498.63 g/mol
Exact Mass498.27
IUPAC Name7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one
SMILESCCn1c(=O)c(CCC(=O)N2CCN(c3ccccn3)CC2)c(C)c2c(C)nn(-c3cccc(C)c3)c21
InChIInChI=1S/C29H34N6O2/c1-5-34-28-27(22(4)31-35(28)23-10-8-9-20(2)19-23)21(3)24(29(34)37)12-13-26(36)33-17-15-32(16-18-33)25-11-6-7-14-30-25/h6-11,14,19H,5,12-13,15-18H2,1-4H3
InChIKeyYGUNTYFWPGLOOU-UHFFFAOYSA-N
XLogP3.81
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.63
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one (CID 20961335) is 7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one is CCn1c(=O)c(CCC(=O)N2CCN(c3ccccn3)CC2)c(C)c2c(C)nn(-c3cccc(C)c3)c21.
What is the InChIKey of 7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is YGUNTYFWPGLOOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N6O2/c1-5-34-28-27(22(4)31-35(28)23-10-8-9-20(2)19-23)21(3)24(29(34)37)12-13-26(36)33-17-15-32(16-18-33)25-11-6-7-14-30-25/h6-11,14,19H,5,12-13,15-18H2,1-4H3.
What are the key properties of 7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one?
7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 498.63 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,4-dimethyl-1-(3-methylphenyl)-5-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20961335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).