1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

C23H19F2N5O3 — CID 126742107

IUPAC1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccc(F)cc2F)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12
InChIInChI=1S/C23H19F2N5O3/c1-13-21-16(14-2-5-20(26-12-14)29-6-8-33-9-7-29)11-18(23(31)32)27-22(21)30(28-13)19-4-3-15(24)10-17(19)25/h2-5,10-12H,6-9H2,1H3,(H,31,32)
InChIKeyZGRNWKXDOXSRCX-UHFFFAOYSA-N
MW451.43 g/mol
LogP3.60
Rot. Bonds4

About 1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742107) has the molecular formula C23H19F2N5O3 and a molecular weight of 451.43 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742107
Molecular FormulaC23H19F2N5O3
Molecular Weight451.43 g/mol
Exact Mass451.15
IUPAC Name1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(-c2ccc(F)cc2F)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12
InChIInChI=1S/C23H19F2N5O3/c1-13-21-16(14-2-5-20(26-12-14)29-6-8-33-9-7-29)11-18(23(31)32)27-22(21)30(28-13)19-4-3-15(24)10-17(19)25/h2-5,10-12H,6-9H2,1H3,(H,31,32)
InChIKeyZGRNWKXDOXSRCX-UHFFFAOYSA-N
XLogP3.60
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742107) is 1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(-c2ccc(F)cc2F)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)nc3)c12.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is ZGRNWKXDOXSRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F2N5O3/c1-13-21-16(14-2-5-20(26-12-14)29-6-8-33-9-7-29)11-18(23(31)32)27-22(21)30(28-13)19-4-3-15(24)10-17(19)25/h2-5,10-12H,6-9H2,1H3,(H,31,32).
What are the key properties of 1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 451.43 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-methyl-4-(6-morpholin-4-yl-3-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).