N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide

C29H36N8O3S — CID 121406377

About N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide

N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide (PubChem CID 121406377) has the molecular formula C29H36N8O3S and a molecular weight of 576.73 g/mol. Its IUPAC name is N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide.

Molecular Properties

• Compound Name: N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide
• PubChem CID: 121406377
• Molecular Formula: C29H36N8O3S
• Molecular Weight: 576.73 g/mol
• Exact Mass: 576.26
• IUPAC Name: N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide
• SMILES: Cc1ccc2nc(NS(C)(=O)=O)nc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c2c1
• InChI: InChI=1S/C29H36N8O3S/c1-19-10-11-23-21(17-19)27(32-29(31-23)34-41(2,38)39)36-12-6-5-9-25(36)24-18-26-30-22-8-4-3-7-20(22)28(37(26)33-24)35-13-15-40-16-14-35/h10-11,17-18,25H,3-9,12-16H2,1-2H3,(H,31,32,34)
• InChIKey: DADUKPZFQDXSTD-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 117.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.73
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide?

The IUPAC name of N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide (CID 121406377) is N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide.

What is the SMILES notation for N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide?

The canonical SMILES for N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide is Cc1ccc2nc(NS(C)(=O)=O)nc(N3CCCCC3c3cc4nc5c(c(N6CCOCC6)n4n3)CCCC5)c2c1.

What is the InChIKey of N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide?

The InChIKey is DADUKPZFQDXSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O3S/c1-19-10-11-23-21(17-19)27(32-29(31-23)34-41(2,38)39)36-12-6-5-9-25(36)24-18-26-30-22-8-4-3-7-20(22)28(37(26)33-24)35-13-15-40-16-14-35/h10-11,17-18,25H,3-9,12-16H2,1-2H3,(H,31,32,34).

What are the key properties of N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide?

N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide has a molecular weight of 576.73 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-methyl-4-[2-(9-morpholin-4-yl-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl)piperidin-1-yl]quinazolin-2-yl]methanesulfonamide is sourced from PubChem (CID 121406377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).