6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile

C26H24F2N12O2 — CID 134455577

About 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile

6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile (PubChem CID 134455577) has the molecular formula C26H24F2N12O2 and a molecular weight of 574.56 g/mol. Its IUPAC name is 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 134455577
• Molecular Formula: C26H24F2N12O2
• Molecular Weight: 574.56 g/mol
• Exact Mass: 574.21
• IUPAC Name: 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile
• SMILES: COc1c(Nc2cc(Nc3cncc(C#N)n3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1
• InChI: InChI=1S/C26H24F2N12O2/c1-39-37-24(36-38-39)15-6-5-7-16(22(15)41-2)32-17-10-18(33-19-13-30-12-14(11-29)31-19)34-25-21(17)35-26(23(27)28)40(25)20-8-3-4-9-42-20/h5-7,10,12-13,20,23H,3-4,8-9H2,1-2H3,(H2,31,32,33,34)
• InChIKey: RQGAFBOWYHEDGA-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 166.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	574.56
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile (CID 134455577) is 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile is COc1c(Nc2cc(Nc3cncc(C#N)n3)nc3c2nc(C(F)F)n3C2CCCCO2)cccc1-c1nnn(C)n1.

What is the InChIKey of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is RQGAFBOWYHEDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F2N12O2/c1-39-37-24(36-38-39)15-6-5-7-16(22(15)41-2)32-17-10-18(33-19-13-30-12-14(11-29)31-19)34-25-21(17)35-26(23(27)28)40(25)20-8-3-4-9-42-20/h5-7,10,12-13,20,23H,3-4,8-9H2,1-2H3,(H2,31,32,33,34).

What are the key properties of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile?

6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 574.56 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 134455577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).