7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one

C25H33N5O2 — CID 20961279

IUPAC7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
SMILESCCN1CCN(C(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3n(CC)c2=O)CC1
InChIInChI=1S/C25H33N5O2/c1-5-27-14-16-28(17-15-27)22(31)13-12-21-18(3)23-19(4)26-30(20-10-8-7-9-11-20)24(23)29(6-2)25(21)32/h7-11H,5-6,12-17H2,1-4H3
InChIKeyULCRUMYQZSREPE-UHFFFAOYSA-N
MW435.57 g/mol
LogP2.92
Rot. Bonds6

About 7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one

7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one (PubChem CID 20961279) has the molecular formula C25H33N5O2 and a molecular weight of 435.57 g/mol. Its IUPAC name is 7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
PubChem CID20961279
Molecular FormulaC25H33N5O2
Molecular Weight435.57 g/mol
Exact Mass435.26
IUPAC Name7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one
SMILESCCN1CCN(C(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3n(CC)c2=O)CC1
InChIInChI=1S/C25H33N5O2/c1-5-27-14-16-28(17-15-27)22(31)13-12-21-18(3)23-19(4)26-30(20-10-8-7-9-11-20)24(23)29(6-2)25(21)32/h7-11H,5-6,12-17H2,1-4H3
InChIKeyULCRUMYQZSREPE-UHFFFAOYSA-N
XLogP2.92
TPSA63.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.57
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one (CID 20961279) is 7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one is CCN1CCN(C(=O)CCc2c(C)c3c(C)nn(-c4ccccc4)c3n(CC)c2=O)CC1.
What is the InChIKey of 7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ULCRUMYQZSREPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N5O2/c1-5-27-14-16-28(17-15-27)22(31)13-12-21-18(3)23-19(4)26-30(20-10-8-7-9-11-20)24(23)29(6-2)25(21)32/h7-11H,5-6,12-17H2,1-4H3.
What are the key properties of 7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one?
7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one has a molecular weight of 435.57 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3,4-dimethyl-1-phenylpyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20961279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).