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

C27H34FN7 — CID 155382109

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

6-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-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 155382109) has the molecular formula C27H34FN7 and a molecular weight of 475.62 g/mol. Its IUPAC name is 6-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-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-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-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: 155382109
• Molecular Formula: C27H34FN7
• Molecular Weight: 475.62 g/mol
• Exact Mass: 475.29
• IUPAC Name: 6-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-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(CC5CCC5)CC4)c(F)c3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C27H34FN7/c1-16(2)22-23-21(32-25(22)20-14-35-26(30-15-31-35)18(4)17(20)3)12-29-27(24(23)28)34-10-8-33(9-11-34)13-19-6-5-7-19/h12,14-16,19,32H,5-11,13H2,1-4H3
• InChIKey: FXQSEHGCCBVWAU-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 65.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	475.62
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-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-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-3-propan-2-yl-1H-pyrrolo[2,3-c]pyridin-2-yl]-7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridine (CID 155382109) is 6-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-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-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-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-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-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(CC5CCC5)CC4)c(F)c3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 6-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-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 FXQSEHGCCBVWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN7/c1-16(2)22-23-21(32-25(22)20-14-35-26(30-15-31-35)18(4)17(20)3)12-29-27(24(23)28)34-10-8-33(9-11-34)13-19-6-5-7-19/h12,14-16,19,32H,5-11,13H2,1-4H3.

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

6-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-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 475.62 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-[4-(cyclobutylmethyl)piperazin-1-yl]-4-fluoro-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 155382109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).