8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one

C29H33N5O2 — CID 170270231

About 8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one

8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one (PubChem CID 170270231) has the molecular formula C29H33N5O2 and a molecular weight of 483.62 g/mol. Its IUPAC name is 8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one.

Molecular Properties

• Compound Name: 8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one
• PubChem CID: 170270231
• Molecular Formula: C29H33N5O2
• Molecular Weight: 483.62 g/mol
• Exact Mass: 483.26
• IUPAC Name: 8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one
• SMILES: Cc1nc(CNC2(C)CCC2)cc2c(=O)c(-c3cccc(C4(c5nncn5C)CC(C)C4)c3)coc12
• InChI: InChI=1S/C29H33N5O2/c1-18-13-29(14-18,27-33-31-17-34(27)4)21-8-5-7-20(11-21)24-16-36-26-19(2)32-22(12-23(26)25(24)35)15-30-28(3)9-6-10-28/h5,7-8,11-12,16-18,30H,6,9-10,13-15H2,1-4H3
• InChIKey: HIGITMHQKKTAAZ-UHFFFAOYSA-N
• XLogP: 5.04
• TPSA: 85.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.62
LogP ≤ 5	5.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one?

The IUPAC name of 8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one (CID 170270231) is 8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one.

What is the SMILES notation for 8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one?

The canonical SMILES for 8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one is Cc1nc(CNC2(C)CCC2)cc2c(=O)c(-c3cccc(C4(c5nncn5C)CC(C)C4)c3)coc12.

What is the InChIKey of 8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one?

The InChIKey is HIGITMHQKKTAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O2/c1-18-13-29(14-18,27-33-31-17-34(27)4)21-8-5-7-20(11-21)24-16-36-26-19(2)32-22(12-23(26)25(24)35)15-30-28(3)9-6-10-28/h5,7-8,11-12,16-18,30H,6,9-10,13-15H2,1-4H3.

What are the key properties of 8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one?

8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one has a molecular weight of 483.62 g/mol, XLogP of 5.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-6-[[(1-methylcyclobutyl)amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]pyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 170270231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).