6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

C39H38F2N14O — CID 162038898

About 6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene

6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (PubChem CID 162038898) has the molecular formula C39H38F2N14O and a molecular weight of 756.83 g/mol. Its IUPAC name is 6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

Molecular Properties

• Compound Name: 6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
• PubChem CID: 162038898
• Molecular Formula: C39H38F2N14O
• Molecular Weight: 756.83 g/mol
• Exact Mass: 756.33
• IUPAC Name: 6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene
• SMILES: Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)n2)[C@H]2CCN3C2)ccn1.Cc1cc(-c2ccc3c(n2)N[C@H]2CCN3C2)ccn1.Nc1cncc(F)n1
• InChI: InChI=1S/C20H18FN7O.C15H16N4.C4H4FN3/c1-12-8-13(4-6-23-12)15-2-3-16-19(24-15)28(14-5-7-27(16)11-14)20(29)26-18-10-22-9-17(21)25-18;1-10-8-11(4-6-16-10)13-2-3-14-15(18-13)17-12-5-7-19(14)9-12;5-3-1-7-2-4(6)8-3/h2-4,6,8-10,14H,5,7,11H2,1H3,(H,25,26,29);2-4,6,8,12H,5,7,9H2,1H3,(H,17,18);1-2H,(H2,6,8)/t14-;12-;/m00./s1
• InChIKey: YWZUQEBZJJWBPG-JZGLDBNLSA-N
• XLogP: 5.67
• TPSA: 179.99 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	756.83
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?

The IUPAC name of 6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene (CID 162038898) is 6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene.

What is the SMILES notation for 6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?

The canonical SMILES for 6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)n2)[C@H]2CCN3C2)ccn1.Cc1cc(-c2ccc3c(n2)N[C@H]2CCN3C2)ccn1.Nc1cncc(F)n1.

What is the InChIKey of 6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?

The InChIKey is YWZUQEBZJJWBPG-JZGLDBNLSA-N. The full InChI is InChI=1S/C20H18FN7O.C15H16N4.C4H4FN3/c1-12-8-13(4-6-23-12)15-2-3-16-19(24-15)28(14-5-7-27(16)11-14)20(29)26-18-10-22-9-17(21)25-18;1-10-8-11(4-6-16-10)13-2-3-14-15(18-13)17-12-5-7-19(14)9-12;5-3-1-7-2-4(6)8-3/h2-4,6,8-10,14H,5,7,11H2,1H3,(H,25,26,29);2-4,6,8,12H,5,7,9H2,1H3,(H,17,18);1-2H,(H2,6,8)/t14-;12-;/m00./s1.

What are the key properties of 6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene?

6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene has a molecular weight of 756.83 g/mol, XLogP of 5.67, 3 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoropyrazin-2-amine;(9S)-N-(6-fluoropyrazin-2-yl)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-8-carboxamide;(9S)-5-(2-methyl-4-pyridinyl)-1,6,8-triazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene is sourced from PubChem (CID 162038898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).