6-[4-fluoro-5-[(2R)-2-methyl-4-propan-2-ylpiperazin-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

C26H34FN7 — CID 155226177

About 6-[4-fluoro-5-[(2R)-2-methyl-4-propan-2-ylpiperazin-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-[(2R)-2-methyl-4-propan-2-ylpiperazin-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 155226177) has the molecular formula C26H34FN7 and a molecular weight of 463.61 g/mol. Its IUPAC name is 6-[4-fluoro-5-[(2R)-2-methyl-4-propan-2-ylpiperazin-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-[(2R)-2-methyl-4-propan-2-ylpiperazin-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: 155226177
• Molecular Formula: C26H34FN7
• Molecular Weight: 463.61 g/mol
• Exact Mass: 463.29
• IUPAC Name: 6-[4-fluoro-5-[(2R)-2-methyl-4-propan-2-ylpiperazin-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(N4CCN(C(C)C)C[C@H]4C)c(F)c3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C26H34FN7/c1-14(2)21-22-20(31-24(21)19-12-34-25(29-13-30-34)18(7)17(19)6)10-28-26(23(22)27)33-9-8-32(15(3)4)11-16(33)5/h10,12-16,31H,8-9,11H2,1-7H3/t16-/m1/s1
• InChIKey: PUMFZHAQXXDXDG-MRXNPFEDSA-N
• XLogP: 5.07
• TPSA: 65.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	463.61
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-5-[(2R)-2-methyl-4-propan-2-ylpiperazin-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-[(2R)-2-methyl-4-propan-2-ylpiperazin-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 155226177) is 6-[4-fluoro-5-[(2R)-2-methyl-4-propan-2-ylpiperazin-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-[(2R)-2-methyl-4-propan-2-ylpiperazin-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-[(2R)-2-methyl-4-propan-2-ylpiperazin-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(N4CCN(C(C)C)C[C@H]4C)c(F)c3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 6-[4-fluoro-5-[(2R)-2-methyl-4-propan-2-ylpiperazin-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 PUMFZHAQXXDXDG-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H34FN7/c1-14(2)21-22-20(31-24(21)19-12-34-25(29-13-30-34)18(7)17(19)6)10-28-26(23(22)27)33-9-8-32(15(3)4)11-16(33)5/h10,12-16,31H,8-9,11H2,1-7H3/t16-/m1/s1.

What are the key properties of 6-[4-fluoro-5-[(2R)-2-methyl-4-propan-2-ylpiperazin-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-[(2R)-2-methyl-4-propan-2-ylpiperazin-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 463.61 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-fluoro-5-[(2R)-2-methyl-4-propan-2-ylpiperazin-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 155226177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).