[(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

C34H35N7O3 — CID 164555394

About [(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone

[(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 164555394) has the molecular formula C34H35N7O3 and a molecular weight of 589.70 g/mol. Its IUPAC name is [(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

Molecular Properties

• Compound Name: [(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
• PubChem CID: 164555394
• Molecular Formula: C34H35N7O3
• Molecular Weight: 589.70 g/mol
• Exact Mass: 589.28
• IUPAC Name: [(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
• SMILES: COc1ccc(-c2ccc3cc(-c4nc5cc(C(=O)N6C7=CC[C@H]6C[C@H]7N)cc(OC)n5c4C)n(CC4CC4)c3n2)c(C)n1
• InChI: InChI=1S/C34H35N7O3/c1-18-24(9-12-30(36-18)43-3)26-10-7-21-13-28(39(33(21)37-26)17-20-5-6-20)32-19(2)40-29(38-32)14-22(15-31(40)44-4)34(42)41-23-8-11-27(41)25(35)16-23/h7,9-15,20,23,25H,5-6,8,16-17,35H2,1-4H3/t23-,25+/m0/s1
• InChIKey: CYKZLTWBKMKAHI-UKILVPOCSA-N
• XLogP: 5.29
• TPSA: 112.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.70
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The IUPAC name of [(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 164555394) is [(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.

What is the SMILES notation for [(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The canonical SMILES for [(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is COc1ccc(-c2ccc3cc(-c4nc5cc(C(=O)N6C7=CC[C@H]6C[C@H]7N)cc(OC)n5c4C)n(CC4CC4)c3n2)c(C)n1.

What is the InChIKey of [(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

The InChIKey is CYKZLTWBKMKAHI-UKILVPOCSA-N. The full InChI is InChI=1S/C34H35N7O3/c1-18-24(9-12-30(36-18)43-3)26-10-7-21-13-28(39(33(21)37-26)17-20-5-6-20)32-19(2)40-29(38-32)14-22(15-31(40)44-4)34(42)41-23-8-11-27(41)25(35)16-23/h7,9-15,20,23,25H,5-6,8,16-17,35H2,1-4H3/t23-,25+/m0/s1.

What are the key properties of [(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?

[(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 589.70 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S,6R)-6-amino-7-azabicyclo[2.2.1]hept-1-en-7-yl]-[2-[1-(cyclopropylmethyl)-6-(6-methoxy-2-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-2-yl]-5-methoxy-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 164555394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).