2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile

C35H26F6N14O2 — CID 167578782

About 2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile

2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile (PubChem CID 167578782) has the molecular formula C35H26F6N14O2 and a molecular weight of 788.68 g/mol. Its IUPAC name is 2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile.

Molecular Properties

• Compound Name: 2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile
• PubChem CID: 167578782
• Molecular Formula: C35H26F6N14O2
• Molecular Weight: 788.68 g/mol
• Exact Mass: 788.23
• IUPAC Name: 2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile
• SMILES: N#CCOC(c1ccc(-n2cc(-c3ccnc(N)c3N)cn2)nc1)C(F)(F)F.N#CCOC(c1ccc(-n2cc(-c3ccnc4nc[nH]c34)cn2)nc1)C(F)(F)F
• InChI: InChI=1S/C18H12F3N7O.C17H14F3N7O/c19-18(20,21)16(29-6-4-22)11-1-2-14(24-7-11)28-9-12(8-27-28)13-3-5-23-17-15(13)25-10-26-17;18-17(19,20)15(28-6-4-21)10-1-2-13(25-7-10)27-9-11(8-26-27)12-3-5-24-16(23)14(12)22/h1-3,5,7-10,16H,6H2,(H,23,25,26);1-3,5,7-9,15H,6,22H2,(H2,23,24)
• InChIKey: GWSQSGWNJIBEEM-UHFFFAOYSA-N
• XLogP: 5.99
• TPSA: 233.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	788.68
LogP ≤ 5	5.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile?

The IUPAC name of 2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile (CID 167578782) is 2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile.

What is the SMILES notation for 2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile?

The canonical SMILES for 2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile is N#CCOC(c1ccc(-n2cc(-c3ccnc(N)c3N)cn2)nc1)C(F)(F)F.N#CCOC(c1ccc(-n2cc(-c3ccnc4nc[nH]c34)cn2)nc1)C(F)(F)F.

What is the InChIKey of 2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile?

The InChIKey is GWSQSGWNJIBEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N7O.C17H14F3N7O/c19-18(20,21)16(29-6-4-22)11-1-2-14(24-7-11)28-9-12(8-27-28)13-3-5-23-17-15(13)25-10-26-17;18-17(19,20)15(28-6-4-21)10-1-2-13(25-7-10)27-9-11(8-26-27)12-3-5-24-16(23)14(12)22/h1-3,5,7-10,16H,6H2,(H,23,25,26);1-3,5,7-9,15H,6,22H2,(H2,23,24).

What are the key properties of 2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile?

2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile has a molecular weight of 788.68 g/mol, XLogP of 5.99, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[6-[4-(2,3-diamino-4-pyridinyl)pyrazol-1-yl]-3-pyridinyl]-2,2,2-trifluoroethoxy]acetonitrile;2-[2,2,2-trifluoro-1-[6-[4-(1H-imidazo[4,5-b]pyridin-7-yl)pyrazol-1-yl]-3-pyridinyl]ethoxy]acetonitrile is sourced from PubChem (CID 167578782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).