6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazin-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

C31H43FN8 — CID 155226444

About 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazin-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-(1-propan-2-ylpiperidin-4-yl)piperazin-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 155226444) has the molecular formula C31H43FN8 and a molecular weight of 546.74 g/mol. Its IUPAC name is 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazin-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-(1-propan-2-ylpiperidin-4-yl)piperazin-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: 155226444
• Molecular Formula: C31H43FN8
• Molecular Weight: 546.74 g/mol
• Exact Mass: 546.36
• IUPAC Name: 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazin-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(C5CCN(C(C)C)CC5)C[C@H]4C)c(F)c3c2C(C)C)cn2ncnc2c1C
• InChI: InChI=1S/C31H43FN8/c1-18(2)26-27-25(36-29(26)24-16-40-30(34-17-35-40)22(7)21(24)6)14-33-31(28(27)32)39-13-12-38(15-20(39)5)23-8-10-37(11-9-23)19(3)4/h14,16-20,23,36H,8-13,15H2,1-7H3/t20-/m1/s1
• InChIKey: GNJDLGIQYNSNKM-HXUWFJFHSA-N
• XLogP: 5.54
• TPSA: 68.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.74
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazin-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-(1-propan-2-ylpiperidin-4-yl)piperazin-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 155226444) is 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazin-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-(1-propan-2-ylpiperidin-4-yl)piperazin-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-(1-propan-2-ylpiperidin-4-yl)piperazin-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(C5CCN(C(C)C)CC5)C[C@H]4C)c(F)c3c2C(C)C)cn2ncnc2c1C.

What is the InChIKey of 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazin-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 GNJDLGIQYNSNKM-HXUWFJFHSA-N. The full InChI is InChI=1S/C31H43FN8/c1-18(2)26-27-25(36-29(26)24-16-40-30(34-17-35-40)22(7)21(24)6)14-33-31(28(27)32)39-13-12-38(15-20(39)5)23-8-10-37(11-9-23)19(3)4/h14,16-20,23,36H,8-13,15H2,1-7H3/t20-/m1/s1.

What are the key properties of 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazin-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-(1-propan-2-ylpiperidin-4-yl)piperazin-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 546.74 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-fluoro-5-[(2R)-2-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazin-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 155226444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).