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

C24H29N5O3 — CID 126743839

IUPAC3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(C2CCN(C)CC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C24H29N5O3/c1-16-22-20(17-3-5-18(6-4-17)28-11-13-32-14-12-28)15-21(24(30)31)25-23(22)29(26-16)19-7-9-27(2)10-8-19/h3-6,15,19H,7-14H2,1-2H3,(H,30,31)
InChIKeyXDYVNPQRNBECCI-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.21
Rot. Bonds4

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

3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126743839) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126743839
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESCc1nn(C2CCN(C)CC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12
InChIInChI=1S/C24H29N5O3/c1-16-22-20(17-3-5-18(6-4-17)28-11-13-32-14-12-28)15-21(24(30)31)25-23(22)29(26-16)19-7-9-27(2)10-8-19/h3-6,15,19H,7-14H2,1-2H3,(H,30,31)
InChIKeyXDYVNPQRNBECCI-UHFFFAOYSA-N
XLogP3.21
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126743839) is 3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is Cc1nn(C2CCN(C)CC2)c2nc(C(=O)O)cc(-c3ccc(N4CCOCC4)cc3)c12.
What is the InChIKey of 3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is XDYVNPQRNBECCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-16-22-20(17-3-5-18(6-4-17)28-11-13-32-14-12-28)15-21(24(30)31)25-23(22)29(26-16)19-7-9-27(2)10-8-19/h3-6,15,19H,7-14H2,1-2H3,(H,30,31).
What are the key properties of 3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 435.53 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1-methylpiperidin-4-yl)-4-(4-morpholin-4-ylphenyl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126743839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).