3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

C25H30N6O4 — CID 126742061

IUPAC3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3cc[nH]c(=O)c3)c2n1
InChIInChI=1S/C25H30N6O4/c32-21-14-18(4-7-26-21)31-24-22(23(28-31)16-2-1-3-16)20(15-19(27-24)25(33)34)30-8-5-17(6-9-30)29-10-12-35-13-11-29/h4,7,14-17H,1-3,5-6,8-13H2,(H,26,32)(H,33,34)
InChIKeyZKKVLPKJAMJOSB-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.38
Rot. Bonds5

About 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid

3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126742061) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
PubChem CID126742061
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3cc[nH]c(=O)c3)c2n1
InChIInChI=1S/C25H30N6O4/c32-21-14-18(4-7-26-21)31-24-22(23(28-31)16-2-1-3-16)20(15-19(27-24)25(33)34)30-8-5-17(6-9-30)29-10-12-35-13-11-29/h4,7,14-17H,1-3,5-6,8-13H2,(H,26,32)(H,33,34)
InChIKeyZKKVLPKJAMJOSB-UHFFFAOYSA-N
XLogP2.38
TPSA116.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126742061) is 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3cc[nH]c(=O)c3)c2n1.
What is the InChIKey of 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is ZKKVLPKJAMJOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c32-21-14-18(4-7-26-21)31-24-22(23(28-31)16-2-1-3-16)20(15-19(27-24)25(33)34)30-8-5-17(6-9-30)29-10-12-35-13-11-29/h4,7,14-17H,1-3,5-6,8-13H2,(H,26,32)(H,33,34).
What are the key properties of 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 478.55 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-(2-oxo-1H-pyridin-4-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126742061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).