6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

C28H38FN7 — CID 155382086

About 6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine

6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 155382086) has the molecular formula C28H38FN7 and a molecular weight of 491.66 g/mol. Its IUPAC name is 6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 155382086
• Molecular Formula: C28H38FN7
• Molecular Weight: 491.66 g/mol
• Exact Mass: 491.32
• IUPAC Name: 6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1c(-c2[nH]c3cnc(N4CCCN(CC(C)C)CCC4)c(F)c3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C28H38FN7/c1-17(2)14-34-9-7-11-35(12-8-10-34)28-25(29)24-22(13-30-28)33-26(23(24)18(3)4)21-15-36-27(31-16-32-36)20(6)19(21)5/h13,15-18,33H,7-12,14H2,1-6H3
• InChIKey: LJSSUHDDIZHVNS-UHFFFAOYSA-N
• XLogP: 5.71
• TPSA: 65.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.66
LogP ≤ 5	5.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?

The IUPAC name of 6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 155382086) is 6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine.

What is the SMILES notation for 6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?

The canonical SMILES for 6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(-c2[nH]c3cnc(N4CCCN(CC(C)C)CCC4)c(F)c3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?

The InChIKey is LJSSUHDDIZHVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38FN7/c1-17(2)14-34-9-7-11-35(12-8-10-34)28-25(29)24-22(13-30-28)33-26(23(24)18(3)4)21-15-36-27(31-16-32-36)20(6)19(21)5/h13,15-18,33H,7-12,14H2,1-6H3.

What are the key properties of 6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine?

6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 491.66 g/mol, XLogP of 5.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-fluoro-5-[5-(2-methylpropyl)-1,5-diazocan-1-yl]-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 155382086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).