2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine

C20H24N6OS — CID 70809362

About 2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine

2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine (PubChem CID 70809362) has the molecular formula C20H24N6OS and a molecular weight of 396.52 g/mol. Its IUPAC name is 2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine.

Molecular Properties

• Compound Name: 2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
• PubChem CID: 70809362
• Molecular Formula: C20H24N6OS
• Molecular Weight: 396.52 g/mol
• Exact Mass: 396.17
• IUPAC Name: 2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine
• SMILES: Cc1nc2nc(N)cc(C3Cc4cc(CN5CCS(=O)CC5)ccc4N3)c2[nH]1
• InChI: InChI=1S/C20H24N6OS/c1-12-22-19-15(10-18(21)25-20(19)23-12)17-9-14-8-13(2-3-16(14)24-17)11-26-4-6-28(27)7-5-26/h2-3,8,10,17,24H,4-7,9,11H2,1H3,(H3,21,22,23,25)
• InChIKey: QKVSFNKXJSCIIT-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 99.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.52
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine?

The IUPAC name of 2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine (CID 70809362) is 2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine.

What is the SMILES notation for 2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine?

The canonical SMILES for 2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine is Cc1nc2nc(N)cc(C3Cc4cc(CN5CCS(=O)CC5)ccc4N3)c2[nH]1.

What is the InChIKey of 2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine?

The InChIKey is QKVSFNKXJSCIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6OS/c1-12-22-19-15(10-18(21)25-20(19)23-12)17-9-14-8-13(2-3-16(14)24-17)11-26-4-6-28(27)7-5-26/h2-3,8,10,17,24H,4-7,9,11H2,1H3,(H3,21,22,23,25).

What are the key properties of 2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine?

2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine has a molecular weight of 396.52 g/mol, XLogP of 2.12, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-7-[5-[(1-oxo-1,4-thiazinan-4-yl)methyl]-2,3-dihydro-1H-indol-2-yl]-1H-imidazo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 70809362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).