1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one

C22H25FN4O3 — CID 20961610

IUPAC1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2cccc(F)c2)c2c1c(C)c(CCC(=O)N1CCOCC1)c(=O)n2C
InChIInChI=1S/C22H25FN4O3/c1-14-18(7-8-19(28)26-9-11-30-12-10-26)22(29)25(3)21-20(14)15(2)24-27(21)17-6-4-5-16(23)13-17/h4-6,13H,7-12H2,1-3H3
InChIKeyLTLZEIXYWGPQGL-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.27
Rot. Bonds4

About 1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one

1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one (PubChem CID 20961610) has the molecular formula C22H25FN4O3 and a molecular weight of 412.47 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one
PubChem CID20961610
Molecular FormulaC22H25FN4O3
Molecular Weight412.47 g/mol
Exact Mass412.19
IUPAC Name1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one
SMILESCc1nn(-c2cccc(F)c2)c2c1c(C)c(CCC(=O)N1CCOCC1)c(=O)n2C
InChIInChI=1S/C22H25FN4O3/c1-14-18(7-8-19(28)26-9-11-30-12-10-26)22(29)25(3)21-20(14)15(2)24-27(21)17-6-4-5-16(23)13-17/h4-6,13H,7-12H2,1-3H3
InChIKeyLTLZEIXYWGPQGL-UHFFFAOYSA-N
XLogP2.27
TPSA69.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one (CID 20961610) is 1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one is Cc1nn(-c2cccc(F)c2)c2c1c(C)c(CCC(=O)N1CCOCC1)c(=O)n2C.
What is the InChIKey of 1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is LTLZEIXYWGPQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O3/c1-14-18(7-8-19(28)26-9-11-30-12-10-26)22(29)25(3)21-20(14)15(2)24-27(21)17-6-4-5-16(23)13-17/h4-6,13H,7-12H2,1-3H3.
What are the key properties of 1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one?
1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 412.47 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3,4,7-trimethyl-5-(3-morpholin-4-yl-3-oxopropyl)pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 20961610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).