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

C23H28N4O3 — CID 20961290

IUPAC7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
SMILESCCn1c(=O)c(CCC(=O)N2CCOCC2)c(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C23H28N4O3/c1-4-26-22-21(17(3)24-27(22)18-8-6-5-7-9-18)16(2)19(23(26)29)10-11-20(28)25-12-14-30-15-13-25/h5-9H,4,10-15H2,1-3H3
InChIKeyZXDXVKCZGKEWHU-UHFFFAOYSA-N
MW408.50 g/mol
LogP2.62
Rot. Bonds5

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

7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one (PubChem CID 20961290) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
PubChem CID20961290
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one
SMILESCCn1c(=O)c(CCC(=O)N2CCOCC2)c(C)c2c(C)nn(-c3ccccc3)c21
InChIInChI=1S/C23H28N4O3/c1-4-26-22-21(17(3)24-27(22)18-8-6-5-7-9-18)16(2)19(23(26)29)10-11-20(28)25-12-14-30-15-13-25/h5-9H,4,10-15H2,1-3H3
InChIKeyZXDXVKCZGKEWHU-UHFFFAOYSA-N
XLogP2.62
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one (CID 20961290) is 7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one is CCn1c(=O)c(CCC(=O)N2CCOCC2)c(C)c2c(C)nn(-c3ccccc3)c21.
What is the InChIKey of 7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one?
The InChIKey is ZXDXVKCZGKEWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-4-26-22-21(17(3)24-27(22)18-8-6-5-7-9-18)16(2)19(23(26)29)10-11-20(28)25-12-14-30-15-13-25/h5-9H,4,10-15H2,1-3H3.
What are the key properties of 7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one?
7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one has a molecular weight of 408.50 g/mol, XLogP of 2.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,4-dimethyl-5-(3-morpholin-4-yl-3-oxopropyl)-1-phenylpyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20961290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).