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

C30H36N6O4 — CID 175084000

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

3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 175084000) has the molecular formula C30H36N6O4 and a molecular weight of 544.66 g/mol. Its IUPAC name is 3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

Molecular Properties

• Compound Name: 3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
• PubChem CID: 175084000
• Molecular Formula: C30H36N6O4
• Molecular Weight: 544.66 g/mol
• Exact Mass: 544.28
• IUPAC Name: 3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid
• SMILES: O=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccnc(C4=CCOCC4)c3)c2n1
• InChI: InChI=1S/C30H36N6O4/c37-30(38)25-19-26(35-10-5-22(6-11-35)34-12-16-40-17-13-34)27-28(21-2-1-3-21)33-36(29(27)32-25)23-4-9-31-24(18-23)20-7-14-39-15-8-20/h4,7,9,18-19,21-22H,1-3,5-6,8,10-17H2,(H,37,38)
• InChIKey: LACZTHGBVAWKCE-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 105.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	544.66
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The IUPAC name of 3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 175084000) is 3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid.

What is the SMILES notation for 3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The canonical SMILES for 3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is O=C(O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccnc(C4=CCOCC4)c3)c2n1.

What is the InChIKey of 3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?

The InChIKey is LACZTHGBVAWKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N6O4/c37-30(38)25-19-26(35-10-5-22(6-11-35)34-12-16-40-17-13-34)27-28(21-2-1-3-21)33-36(29(27)32-25)23-4-9-31-24(18-23)20-7-14-39-15-8-20/h4,7,9,18-19,21-22H,1-3,5-6,8,10-17H2,(H,37,38).

What are the key properties of 3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid?

3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 544.66 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclobutyl-1-[2-(3,6-dihydro-2H-pyran-4-yl)-4-pyridinyl]-4-(4-morpholin-4-ylpiperidin-1-yl)pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 175084000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).