[3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone

C30H39N7O4S — CID 126742897

About [3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone

[3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone (PubChem CID 126742897) has the molecular formula C30H39N7O4S and a molecular weight of 593.75 g/mol. Its IUPAC name is [3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone.

Molecular Properties

• Compound Name: [3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone
• PubChem CID: 126742897
• Molecular Formula: C30H39N7O4S
• Molecular Weight: 593.75 g/mol
• Exact Mass: 593.28
• IUPAC Name: [3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone
• SMILES: CN1CCCN(C(=O)c2cc(N3CCC(N4CCOCC4)CC3)c3c(C4CCC4)nn(-c4ccccc4)c3n2)S1(=O)=O
• InChI: InChI=1S/C30H39N7O4S/c1-33-13-6-14-36(42(33,39)40)30(38)25-21-26(35-15-11-23(12-16-35)34-17-19-41-20-18-34)27-28(22-7-5-8-22)32-37(29(27)31-25)24-9-3-2-4-10-24/h2-4,9-10,21-23H,5-8,11-20H2,1H3
• InChIKey: AMXUIWPORJJIGD-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 104.11 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.75
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone?

The IUPAC name of [3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone (CID 126742897) is [3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone.

What is the SMILES notation for [3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone?

The canonical SMILES for [3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone is CN1CCCN(C(=O)c2cc(N3CCC(N4CCOCC4)CC3)c3c(C4CCC4)nn(-c4ccccc4)c3n2)S1(=O)=O.

What is the InChIKey of [3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone?

The InChIKey is AMXUIWPORJJIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H39N7O4S/c1-33-13-6-14-36(42(33,39)40)30(38)25-21-26(35-15-11-23(12-16-35)34-17-19-41-20-18-34)27-28(22-7-5-8-22)32-37(29(27)31-25)24-9-3-2-4-10-24/h2-4,9-10,21-23H,5-8,11-20H2,1H3.

What are the key properties of [3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone?

[3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone has a molecular weight of 593.75 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-phenylpyrazolo[5,4-b]pyridin-6-yl]-(6-methyl-1,1-dioxo-1,2,6-thiadiazinan-2-yl)methanone is sourced from PubChem (CID 126742897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).