6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine

C24H30N8O3 — CID 157041883

About 6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine

6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine (PubChem CID 157041883) has the molecular formula C24H30N8O3 and a molecular weight of 478.56 g/mol. Its IUPAC name is 6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

• Compound Name: 6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine
• PubChem CID: 157041883
• Molecular Formula: C24H30N8O3
• Molecular Weight: 478.56 g/mol
• Exact Mass: 478.24
• IUPAC Name: 6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine
• SMILES: COc1c(Oc2ccnc(N)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@@H]4CCOC4)n3)n(C)c12
• InChI: InChI=1S/C24H30N8O3/c1-24(2,3)17-11-19(30-32(17)14-7-9-34-13-14)28-23-29-22-20(31(23)4)21(33-5)16(12-27-22)35-15-6-8-26-18(25)10-15/h6,8,10-12,14H,7,9,13H2,1-5H3,(H2,25,26)(H,27,28,29,30)/t14-/m1/s1
• InChIKey: JBYNNERAKWROAT-CQSZACIVSA-N
• XLogP: 3.95
• TPSA: 127.16 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.56
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine?

The IUPAC name of 6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine (CID 157041883) is 6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine.

What is the SMILES notation for 6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine?

The canonical SMILES for 6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine is COc1c(Oc2ccnc(N)c2)cnc2nc(Nc3cc(C(C)(C)C)n([C@@H]4CCOC4)n3)n(C)c12.

What is the InChIKey of 6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine?

The InChIKey is JBYNNERAKWROAT-CQSZACIVSA-N. The full InChI is InChI=1S/C24H30N8O3/c1-24(2,3)17-11-19(30-32(17)14-7-9-34-13-14)28-23-29-22-20(31(23)4)21(33-5)16(12-27-22)35-15-6-8-26-18(25)10-15/h6,8,10-12,14H,7,9,13H2,1-5H3,(H2,25,26)(H,27,28,29,30)/t14-/m1/s1.

What are the key properties of 6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine?

6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 478.56 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2-amino-4-pyridinyl)oxy]-N-[5-tert-butyl-1-[(3R)-oxolan-3-yl]pyrazol-3-yl]-7-methoxy-1-methylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 157041883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).