3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide

C29H37FN6O4S — CID 126741619

About 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide

3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide (PubChem CID 126741619) has the molecular formula C29H37FN6O4S and a molecular weight of 584.72 g/mol. Its IUPAC name is 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
• PubChem CID: 126741619
• Molecular Formula: C29H37FN6O4S
• Molecular Weight: 584.72 g/mol
• Exact Mass: 584.26
• IUPAC Name: 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide
• SMILES: CCS(=O)(=O)NC(=O)c1cc(N2CCC(CN3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1
• InChI: InChI=1S/C29H37FN6O4S/c1-2-41(38,39)33-29(37)24-18-25(35-12-10-20(11-13-35)19-34-14-16-40-17-15-34)26-27(21-4-3-5-21)32-36(28(26)31-24)23-8-6-22(30)7-9-23/h6-9,18,20-21H,2-5,10-17,19H2,1H3,(H,33,37)
• InChIKey: GFDDZDGKRMPSHC-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 109.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	584.72
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?

The IUPAC name of 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide (CID 126741619) is 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide.

What is the SMILES notation for 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?

The canonical SMILES for 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide is CCS(=O)(=O)NC(=O)c1cc(N2CCC(CN3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccc(F)cc3)c2n1.

What is the InChIKey of 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?

The InChIKey is GFDDZDGKRMPSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37FN6O4S/c1-2-41(38,39)33-29(37)24-18-25(35-12-10-20(11-13-35)19-34-14-16-40-17-15-34)26-27(21-4-3-5-21)32-36(28(26)31-24)23-8-6-22(30)7-9-23/h6-9,18,20-21H,2-5,10-17,19H2,1H3,(H,33,37).

What are the key properties of 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide?

3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide has a molecular weight of 584.72 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclobutyl-N-ethylsulfonyl-1-(4-fluorophenyl)-4-[4-(morpholin-4-ylmethyl)piperidin-1-yl]pyrazolo[5,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 126741619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).