2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide

C53H51N15O5 — CID 178026587

About 2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide

2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide (PubChem CID 178026587) has the molecular formula C53H51N15O5 and a molecular weight of 978.09 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide.

Molecular Properties

• Compound Name: 2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
• PubChem CID: 178026587
• Molecular Formula: C53H51N15O5
• Molecular Weight: 978.09 g/mol
• Exact Mass: 977.42
• IUPAC Name: 2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide
• SMILES: COc1cc(-c2cc3c(nc2OC)nc(CC2CC2)n3C)ccn1.COc1nc2nc(CCc3ccccc3)n(C)c2cc1-c1ccnn1C.O=C(Nc1ccon1)c1cnc2n[nH]c(-c3ccccc3)c2n1
• InChI: InChI=1S/C20H21N5O.C18H20N4O2.C15H10N6O2/c1-24-17-13-15(16-11-12-21-25(16)2)20(26-3)23-19(17)22-18(24)10-9-14-7-5-4-6-8-14;1-22-14-10-13(12-6-7-19-16(9-12)23-2)18(24-3)21-17(14)20-15(22)8-11-4-5-11;22-15(18-11-6-7-23-21-11)10-8-16-14-13(17-10)12(19-20-14)9-4-2-1-3-5-9/h4-8,11-13H,9-10H2,1-3H3;6-7,9-11H,4-5,8H2,1-3H3;1-8H,(H,16,19,20)(H,18,21,22)
• InChIKey: IAVVFCMDATXTFT-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 229.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	978.09
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?

The IUPAC name of 2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide (CID 178026587) is 2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide.

What is the SMILES notation for 2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?

The canonical SMILES for 2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide is COc1cc(-c2cc3c(nc2OC)nc(CC2CC2)n3C)ccn1.COc1nc2nc(CCc3ccccc3)n(C)c2cc1-c1ccnn1C.O=C(Nc1ccon1)c1cnc2n[nH]c(-c3ccccc3)c2n1.

What is the InChIKey of 2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?

The InChIKey is IAVVFCMDATXTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O.C18H20N4O2.C15H10N6O2/c1-24-17-13-15(16-11-12-21-25(16)2)20(26-3)23-19(17)22-18(24)10-9-14-7-5-4-6-8-14;1-22-14-10-13(12-6-7-19-16(9-12)23-2)18(24-3)21-17(14)20-15(22)8-11-4-5-11;22-15(18-11-6-7-23-21-11)10-8-16-14-13(17-10)12(19-20-14)9-4-2-1-3-5-9/h4-8,11-13H,9-10H2,1-3H3;6-7,9-11H,4-5,8H2,1-3H3;1-8H,(H,16,19,20)(H,18,21,22).

What are the key properties of 2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide?

2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide has a molecular weight of 978.09 g/mol, XLogP of 8.42, 13 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(cyclopropylmethyl)-5-methoxy-6-(2-methoxy-4-pyridinyl)-1-methylimidazo[4,5-b]pyridine;5-methoxy-1-methyl-6-(2-methylpyrazol-3-yl)-2-(2-phenylethyl)imidazo[4,5-b]pyridine;N-(1,2-oxazol-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyrazine-5-carboxamide is sourced from PubChem (CID 178026587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).