2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol

C23H28N4O — CID 90294067

About 2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol

2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol (PubChem CID 90294067) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol.

Molecular Properties

• Compound Name: 2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol
• PubChem CID: 90294067
• Molecular Formula: C23H28N4O
• Molecular Weight: 376.50 g/mol
• Exact Mass: 376.23
• IUPAC Name: 2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol
• SMILES: Cc1cnc2c(c1)c1c(n2CC2(O)CCc3nc(C)ccc32)CC(C)N(C)C1
• InChI: InChI=1S/C23H28N4O/c1-14-9-17-18-12-26(4)16(3)10-21(18)27(22(17)24-11-14)13-23(28)8-7-20-19(23)6-5-15(2)25-20/h5-6,9,11,16,28H,7-8,10,12-13H2,1-4H3
• InChIKey: AOISJFLHAOSWPO-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 54.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.50
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol?

The IUPAC name of 2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol (CID 90294067) is 2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol.

What is the SMILES notation for 2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol?

The canonical SMILES for 2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol is Cc1cnc2c(c1)c1c(n2CC2(O)CCc3nc(C)ccc32)CC(C)N(C)C1.

What is the InChIKey of 2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol?

The InChIKey is AOISJFLHAOSWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-14-9-17-18-12-26(4)16(3)10-21(18)27(22(17)24-11-14)13-23(28)8-7-20-19(23)6-5-15(2)25-20/h5-6,9,11,16,28H,7-8,10,12-13H2,1-4H3.

What are the key properties of 2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol?

2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol has a molecular weight of 376.50 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-5-[(4,5,12-trimethyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-8-yl)methyl]-6,7-dihydrocyclopenta[b]pyridin-5-ol is sourced from PubChem (CID 90294067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).