2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride

C23H26Cl2FN7O — CID 156887571

About 2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride

2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride (PubChem CID 156887571) has the molecular formula C23H26Cl2FN7O and a molecular weight of 506.41 g/mol. Its IUPAC name is 2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride.

Molecular Properties

• Compound Name: 2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride
• PubChem CID: 156887571
• Molecular Formula: C23H26Cl2FN7O
• Molecular Weight: 506.41 g/mol
• Exact Mass: 505.16
• IUPAC Name: 2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride
• SMILES: Cc1cn2cc(-c3ccc(-c4cnc(N5CCN(C)[C@H](C)C5)nn4)c(O)c3)cc(F)c2n1.Cl.Cl
• InChI: InChI=1S/C23H24FN7O.2ClH/c1-14-11-31-13-17(8-19(24)22(31)26-14)16-4-5-18(21(32)9-16)20-10-25-23(28-27-20)30-7-6-29(3)15(2)12-30;;/h4-5,8-11,13,15,32H,6-7,12H2,1-3H3;2*1H/t15-;;/m1../s1
• InChIKey: DIUIYPQWRLCFTP-QCUBGVIVSA-N
• XLogP: 3.99
• TPSA: 82.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	506.41
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride?

The IUPAC name of 2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride (CID 156887571) is 2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride.

What is the SMILES notation for 2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride?

The canonical SMILES for 2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride is Cc1cn2cc(-c3ccc(-c4cnc(N5CCN(C)[C@H](C)C5)nn4)c(O)c3)cc(F)c2n1.Cl.Cl.

What is the InChIKey of 2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride?

The InChIKey is DIUIYPQWRLCFTP-QCUBGVIVSA-N. The full InChI is InChI=1S/C23H24FN7O.2ClH/c1-14-11-31-13-17(8-19(24)22(31)26-14)16-4-5-18(21(32)9-16)20-10-25-23(28-27-20)30-7-6-29(3)15(2)12-30;;/h4-5,8-11,13,15,32H,6-7,12H2,1-3H3;2*1H/t15-;;/m1../s1.

What are the key properties of 2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride?

2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride has a molecular weight of 506.41 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(3R)-3,4-dimethylpiperazin-1-yl]-1,2,4-triazin-6-yl]-5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)phenol;dihydrochloride is sourced from PubChem (CID 156887571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).