5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

C32H36N10O3 — CID 157263399

About 5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine

5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 157263399) has the molecular formula C32H36N10O3 and a molecular weight of 608.71 g/mol. Its IUPAC name is 5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

• Compound Name: 5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
• PubChem CID: 157263399
• Molecular Formula: C32H36N10O3
• Molecular Weight: 608.71 g/mol
• Exact Mass: 608.30
• IUPAC Name: 5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine
• SMILES: [C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)ccc1C(C)(C)OC
• InChI: InChI=1S/C32H36N10O3/c1-19-34-27-25(37-24-12-10-11-22(28(24)43-6)29-38-40-41(5)39-29)18-21(36-31(27)42(19)26-13-8-9-16-45-26)17-20-14-15-23(30(33-4)35-20)32(2,3)44-7/h10-12,14-15,18,26H,8-9,13,16-17H2,1-3,5-7H3,(H,36,37)
• InChIKey: UURGTNJDRQCFDZ-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 131.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	608.71
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

The IUPAC name of 5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine (CID 157263399) is 5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine.

What is the SMILES notation for 5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

The canonical SMILES for 5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is [C-]#[N+]c1nc(Cc2cc(Nc3cccc(-c4nnn(C)n4)c3OC)c3nc(C)n(C4CCCCO4)c3n2)ccc1C(C)(C)OC.

What is the InChIKey of 5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

The InChIKey is UURGTNJDRQCFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36N10O3/c1-19-34-27-25(37-24-12-10-11-22(28(24)43-6)29-38-40-41(5)39-29)18-21(36-31(27)42(19)26-13-8-9-16-45-26)17-20-14-15-23(30(33-4)35-20)32(2,3)44-7/h10-12,14-15,18,26H,8-9,13,16-17H2,1-3,5-7H3,(H,36,37).

What are the key properties of 5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine?

5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine has a molecular weight of 608.71 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-isocyano-5-(2-methoxypropan-2-yl)-2-pyridinyl]methyl]-N-[2-methoxy-3-(2-methyltetrazol-5-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 157263399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).