5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine

C24H26BrFN8O — CID 166560048

About 5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine

5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine (PubChem CID 166560048) has the molecular formula C24H26BrFN8O and a molecular weight of 541.43 g/mol. Its IUPAC name is 5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine.

Molecular Properties

• Compound Name: 5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine
• PubChem CID: 166560048
• Molecular Formula: C24H26BrFN8O
• Molecular Weight: 541.43 g/mol
• Exact Mass: 540.14
• IUPAC Name: 5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine
• SMILES: Cc1nn(CC2CC2)cc1Cc1nn(C)nc1-c1ccc(F)cc1[C@@H](C)Oc1nc(Br)cnc1N
• InChI: InChI=1S/C24H26BrFN8O/c1-13-16(12-34(30-13)11-15-4-5-15)8-20-22(32-33(3)31-20)18-7-6-17(26)9-19(18)14(2)35-24-23(27)28-10-21(25)29-24/h6-7,9-10,12,14-15H,4-5,8,11H2,1-3H3,(H2,27,28)/t14-/m1/s1
• InChIKey: BKUQIFQGNPDBTP-CQSZACIVSA-N
• XLogP: 4.40
• TPSA: 109.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.43
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine?

The IUPAC name of 5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine (CID 166560048) is 5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine.

What is the SMILES notation for 5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine?

The canonical SMILES for 5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine is Cc1nn(CC2CC2)cc1Cc1nn(C)nc1-c1ccc(F)cc1[C@@H](C)Oc1nc(Br)cnc1N.

What is the InChIKey of 5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine?

The InChIKey is BKUQIFQGNPDBTP-CQSZACIVSA-N. The full InChI is InChI=1S/C24H26BrFN8O/c1-13-16(12-34(30-13)11-15-4-5-15)8-20-22(32-33(3)31-20)18-7-6-17(26)9-19(18)14(2)35-24-23(27)28-10-21(25)29-24/h6-7,9-10,12,14-15H,4-5,8,11H2,1-3H3,(H2,27,28)/t14-/m1/s1.

What are the key properties of 5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine?

5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine has a molecular weight of 541.43 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[(1R)-1-[2-[5-[[1-(cyclopropylmethyl)-3-methylpyrazol-4-yl]methyl]-2-methyltriazol-4-yl]-5-fluorophenyl]ethoxy]pyrazin-2-amine is sourced from PubChem (CID 166560048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).