1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

C23H20FN5O3 — CID 126743642

IUPAC1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2cccc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12
InChIInChI=1S/C23H20FN5O3/c1-14-21-18(15-5-6-20(25-13-15)28-7-9-32-10-8-28)12-19(23(30)31)26-22(21)29(27-14)17-4-2-3-16(24)11-17/h2-6,11-13H,7-10H2,1H3,(H,30,31)
InChIKeyCOABBVDPAUWLJO-UHFFFAOYSA-N
MW433.44 g/mol
LogP3.46
Rot. Bonds4

About 1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743642) has the molecular formula C23H20FN5O3 and a molecular weight of 433.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743642
Molecular FormulaC23H20FN5O3
Molecular Weight433.44 g/mol
Exact Mass433.16
IUPAC Name1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2cccc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12
InChIInChI=1S/C23H20FN5O3/c1-14-21-18(15-5-6-20(25-13-15)28-7-9-32-10-8-28)12-19(23(30)31)26-22(21)29(27-14)17-4-2-3-16(24)11-17/h2-6,11-13H,7-10H2,1H3,(H,30,31)
InChIKeyCOABBVDPAUWLJO-UHFFFAOYSA-N
XLogP3.46
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743642) is 1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(-c2cccc(F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12.
What is the InChIKey of 1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is COABBVDPAUWLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3/c1-14-21-18(15-5-6-20(25-13-15)28-7-9-32-10-8-28)12-19(23(30)31)26-22(21)29(27-14)17-4-2-3-16(24)11-17/h2-6,11-13H,7-10H2,1H3,(H,30,31).
What are the key properties of 1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 433.44 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).