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

C30H33N13O3 — CID 134455564

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

6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile (PubChem CID 134455564) has the molecular formula C30H33N13O3 and a molecular weight of 623.68 g/mol. Its IUPAC name is 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile
• PubChem CID: 134455564
• Molecular Formula: C30H33N13O3
• Molecular Weight: 623.68 g/mol
• Exact Mass: 623.28
• IUPAC Name: 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile
• SMILES: COc1c(Nc2cc(Nc3cnc(N4CCOCC4)c(C#N)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1
• InChI: InChI=1S/C30H33N13O3/c1-18-33-26-21(34-20-8-6-7-19(27(20)44-3)28-38-40-41(2)39-28)15-23(37-30(26)43(18)25-9-4-5-12-46-25)36-24-17-32-29(22(16-31)35-24)42-10-13-45-14-11-42/h6-8,15,17,25H,4-5,9-14H2,1-3H3,(H2,34,35,36,37)
• InChIKey: SLBZPXNFAYKSBF-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 178.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.68
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile (CID 134455564) is 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile.

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

The canonical SMILES for 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile is COc1c(Nc2cc(Nc3cnc(N4CCOCC4)c(C#N)n3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1nnn(C)n1.

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

The InChIKey is SLBZPXNFAYKSBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N13O3/c1-18-33-26-21(34-20-8-6-7-19(27(20)44-3)28-38-40-41(2)39-28)15-23(37-30(26)43(18)25-9-4-5-12-46-25)36-24-17-32-29(22(16-31)35-24)42-10-13-45-14-11-42/h6-8,15,17,25H,4-5,9-14H2,1-3H3,(H2,34,35,36,37).

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

6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile has a molecular weight of 623.68 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[7-[2-methoxy-3-(2-methyltetrazol-5-yl)anilino]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-5-yl]amino]-3-morpholin-4-ylpyrazine-2-carbonitrile is sourced from PubChem (CID 134455564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).