6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile

C25H23F2N13O2 — CID 134455672

About 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile

6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile (PubChem CID 134455672) has the molecular formula C25H23F2N13O2 and a molecular weight of 575.54 g/mol. Its IUPAC name is 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile
• PubChem CID: 134455672
• Molecular Formula: C25H23F2N13O2
• Molecular Weight: 575.54 g/mol
• Exact Mass: 575.21
• IUPAC Name: 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile
• SMILES: COc1c(Nc2cc(Nc3cnc(N4CCOCC4)c(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1
• InChI: InChI=1S/C25H23F2N13O2/c1-39-37-22(36-38-39)13-4-3-5-14(20(13)41-2)30-15-10-17(33-23-19(15)34-24(35-23)21(26)27)32-18-12-29-25(16(11-28)31-18)40-6-8-42-9-7-40/h3-5,10,12,21H,6-9H2,1-2H3,(H3,30,31,32,33,34,35)
• InChIKey: HYLDLASTHZVQAS-UHFFFAOYSA-N
• XLogP: 3.08
• TPSA: 180.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	575.54
LogP ≤ 5	3.08
H-Bond Donors ≤ 5	3
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]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile?

The IUPAC name of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile (CID 134455672) is 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile.

What is the SMILES notation for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile?

The canonical SMILES for 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile is COc1c(Nc2cc(Nc3cnc(N4CCOCC4)c(C#N)n3)nc3nc(C(F)F)[nH]c23)cccc1-c1nnn(C)n1.

What is the InChIKey of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile?

The InChIKey is HYLDLASTHZVQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N13O2/c1-39-37-22(36-38-39)13-4-3-5-14(20(13)41-2)30-15-10-17(33-23-19(15)34-24(35-23)21(26)27)32-18-12-29-25(16(11-28)31-18)40-6-8-42-9-7-40/h3-5,10,12,21H,6-9H2,1-2H3,(H3,30,31,32,33,34,35).

What are the key properties of 6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile?

6-[[2-(difluoromethyl)-7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile has a molecular weight of 575.54 g/mol, XLogP of 3.08, 8 rotatable bonds, 3 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]-1H-imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 134455672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).