methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate

C30H35N7O4 — CID 172734066

About methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate

methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate (PubChem CID 172734066) has the molecular formula C30H35N7O4 and a molecular weight of 557.66 g/mol. Its IUPAC name is methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate.

Molecular Properties

• Compound Name: methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate
• PubChem CID: 172734066
• Molecular Formula: C30H35N7O4
• Molecular Weight: 557.66 g/mol
• Exact Mass: 557.28
• IUPAC Name: methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate
• SMILES: COC(=O)NCCn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)cc(OC)c21
• InChI: InChI=1S/C30H35N7O4/c1-40-24-14-20(29(38)37-16-19-7-8-22(37)25(19)31)12-21-26(24)35(11-10-33-30(39)41-2)28(34-21)23-13-18-4-3-9-32-27(18)36(23)15-17-5-6-17/h3-4,9,12-14,17,19,22,25H,5-8,10-11,15-16,31H2,1-2H3,(H,33,39)/t19-,22-,25-/m1/s1
• InChIKey: IEORGEUTBORETR-OPJGWUQDSA-N
• XLogP: 3.39
• TPSA: 129.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.66
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate?

The IUPAC name of methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate (CID 172734066) is methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate.

What is the SMILES notation for methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate?

The canonical SMILES for methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate is COC(=O)NCCn1c(-c2cc3cccnc3n2CC2CC2)nc2cc(C(=O)N3C[C@H]4CC[C@@H]3[C@@H]4N)cc(OC)c21.

What is the InChIKey of methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate?

The InChIKey is IEORGEUTBORETR-OPJGWUQDSA-N. The full InChI is InChI=1S/C30H35N7O4/c1-40-24-14-20(29(38)37-16-19-7-8-22(37)25(19)31)12-21-26(24)35(11-10-33-30(39)41-2)28(34-21)23-13-18-4-3-9-32-27(18)36(23)15-17-5-6-17/h3-4,9,12-14,17,19,22,25H,5-8,10-11,15-16,31H2,1-2H3,(H,33,39)/t19-,22-,25-/m1/s1.

What are the key properties of methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate?

methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate has a molecular weight of 557.66 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-[5-[(1R,4R,7R)-7-amino-2-azabicyclo[2.2.1]heptane-2-carbonyl]-2-[1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxybenzimidazol-1-yl]ethyl]carbamate is sourced from PubChem (CID 172734066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).