[2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone

C32H35N7O2 — CID 167257470

About [2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone

[2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone (PubChem CID 167257470) has the molecular formula C32H35N7O2 and a molecular weight of 549.68 g/mol. Its IUPAC name is [2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

Molecular Properties

• Compound Name: [2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• PubChem CID: 167257470
• Molecular Formula: C32H35N7O2
• Molecular Weight: 549.68 g/mol
• Exact Mass: 549.29
• IUPAC Name: [2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone
• SMILES: COc1cc(C(=O)N2CC3CCC2[C@@H]3C)cc2nc(-c3cc4ccc(-c5ccnn5C)nc4n3CC3CC3)n(C)c12
• InChI: InChI=1S/C32H35N7O2/c1-18-21-8-10-25(18)39(17-21)32(40)22-13-24-29(28(15-22)41-4)36(2)31(35-24)27-14-20-7-9-23(26-11-12-33-37(26)3)34-30(20)38(27)16-19-5-6-19/h7,9,11-15,18-19,21,25H,5-6,8,10,16-17H2,1-4H3/t18-,21?,25?/m1/s1
• InChIKey: HJHFMYWMRREABG-MFDWQKDMSA-N
• XLogP: 5.28
• TPSA: 83.00 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.68
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The IUPAC name of [2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone (CID 167257470) is [2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone.

What is the SMILES notation for [2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The canonical SMILES for [2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone is COc1cc(C(=O)N2CC3CCC2[C@@H]3C)cc2nc(-c3cc4ccc(-c5ccnn5C)nc4n3CC3CC3)n(C)c12.

What is the InChIKey of [2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

The InChIKey is HJHFMYWMRREABG-MFDWQKDMSA-N. The full InChI is InChI=1S/C32H35N7O2/c1-18-21-8-10-25(18)39(17-21)32(40)22-13-24-29(28(15-22)41-4)36(2)31(35-24)27-14-20-7-9-23(26-11-12-33-37(26)3)34-30(20)38(27)16-19-5-6-19/h7,9,11-15,18-19,21,25H,5-6,8,10,16-17H2,1-4H3/t18-,21?,25?/m1/s1.

What are the key properties of [2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone?

[2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone has a molecular weight of 549.68 g/mol, XLogP of 5.28, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[1-(cyclopropylmethyl)-6-(2-methylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]-[(7R)-7-methyl-2-azabicyclo[2.2.1]heptan-2-yl]methanone is sourced from PubChem (CID 167257470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).