14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene

C32H22N6 — CID 140690731

About 14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene

14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene (PubChem CID 140690731) has the molecular formula C32H22N6 and a molecular weight of 490.57 g/mol. Its IUPAC name is 14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene.

Molecular Properties

• Compound Name: 14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
• PubChem CID: 140690731
• Molecular Formula: C32H22N6
• Molecular Weight: 490.57 g/mol
• Exact Mass: 490.19
• IUPAC Name: 14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene
• SMILES: Cn1cc(-c2ccccn2)c2nc3c(cc21)c1ccccc1n3-c1cccc(-n2ccc3cccnc32)c1
• InChI: InChI=1S/C32H22N6/c1-36-20-26(27-12-4-5-15-33-27)30-29(36)19-25-24-11-2-3-13-28(24)38(32(25)35-30)23-10-6-9-22(18-23)37-17-14-21-8-7-16-34-31(21)37/h2-20H,1H3
• InChIKey: CRUIBCRTDLSJAK-UHFFFAOYSA-N
• XLogP: 7.07
• TPSA: 53.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.57
LogP ≤ 5	7.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene?

The IUPAC name of 14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene (CID 140690731) is 14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene.

What is the SMILES notation for 14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene?

The canonical SMILES for 14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene is Cn1cc(-c2ccccn2)c2nc3c(cc21)c1ccccc1n3-c1cccc(-n2ccc3cccnc32)c1.

What is the InChIKey of 14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene?

The InChIKey is CRUIBCRTDLSJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N6/c1-36-20-26(27-12-4-5-15-33-27)30-29(36)19-25-24-11-2-3-13-28(24)38(32(25)35-30)23-10-6-9-22(18-23)37-17-14-21-8-7-16-34-31(21)37/h2-20H,1H3.

What are the key properties of 14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene?

14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene has a molecular weight of 490.57 g/mol, XLogP of 7.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 14-methyl-12-pyridin-2-yl-8-(3-pyrrolo[2,3-b]pyridin-1-ylphenyl)-8,10,14-triazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11(15),12-heptaene is sourced from PubChem (CID 140690731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).