1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

C21H22N4O3 — CID 126742013

IUPAC1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(C2CC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C21H22N4O3/c1-13-19-17(14-2-4-15(5-3-14)24-8-10-28-11-9-24)12-18(21(26)27)22-20(19)25(23-13)16-6-7-16/h2-5,12,16H,6-11H2,1H3,(H,26,27)
InChIKeyUPEMQDNHVSBYSD-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.28
Rot. Bonds4

About 1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742013) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742013
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(C2CC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C21H22N4O3/c1-13-19-17(14-2-4-15(5-3-14)24-8-10-28-11-9-24)12-18(21(26)27)22-20(19)25(23-13)16-6-7-16/h2-5,12,16H,6-11H2,1H3,(H,26,27)
InChIKeyUPEMQDNHVSBYSD-UHFFFAOYSA-N
XLogP3.28
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742013) is 1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(C2CC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is UPEMQDNHVSBYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-19-17(14-2-4-15(5-3-14)24-8-10-28-11-9-24)12-18(21(26)27)22-20(19)25(23-13)16-6-7-16/h2-5,12,16H,6-11H2,1H3,(H,26,27).
What are the key properties of 1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 378.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-methyl-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).