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

C24H20F3N5O3 — CID 126743095

IUPAC3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2cccc(C(F)(F)F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12
InChIInChI=1S/C24H20F3N5O3/c1-14-21-18(15-5-6-20(28-13-15)31-7-9-35-10-8-31)12-19(23(33)34)29-22(21)32(30-14)17-4-2-3-16(11-17)24(25,26)27/h2-6,11-13H,7-10H2,1H3,(H,33,34)
InChIKeyAYEYHOUIAFZLID-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.34
Rot. Bonds4

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

3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743095) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743095
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Name3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2cccc(C(F)(F)F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12
InChIInChI=1S/C24H20F3N5O3/c1-14-21-18(15-5-6-20(28-13-15)31-7-9-35-10-8-31)12-19(23(33)34)29-22(21)32(30-14)17-4-2-3-16(11-17)24(25,26)27/h2-6,11-13H,7-10H2,1H3,(H,33,34)
InChIKeyAYEYHOUIAFZLID-UHFFFAOYSA-N
XLogP4.34
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743095) is 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(-c2cccc(C(F)(F)F)c2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12.
What is the InChIKey of 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is AYEYHOUIAFZLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-14-21-18(15-5-6-20(28-13-15)31-7-9-35-10-8-31)12-19(23(33)34)29-22(21)32(30-14)17-4-2-3-16(11-17)24(25,26)27/h2-6,11-13H,7-10H2,1H3,(H,33,34).
What are the key properties of 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 483.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).