N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide

C33H44N8O3 — CID 167416919

About N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide

N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 167416919) has the molecular formula C33H44N8O3 and a molecular weight of 600.77 g/mol. Its IUPAC name is N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide
• PubChem CID: 167416919
• Molecular Formula: C33H44N8O3
• Molecular Weight: 600.77 g/mol
• Exact Mass: 600.35
• IUPAC Name: N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide
• SMILES: COc1cc(C(=O)N2C[C@H](N)CCN2C)cc2nc(-c3cc4ccc([C@@H](C)NC(=O)C(C)(C)C)nc4n3CC3CC3)n(C)c12
• InChI: InChI=1S/C33H44N8O3/c1-19(35-32(43)33(2,3)4)24-11-10-21-15-26(40(29(21)36-24)17-20-8-9-20)30-37-25-14-22(16-27(44-7)28(25)39(30)6)31(42)41-18-23(34)12-13-38(41)5/h10-11,14-16,19-20,23H,8-9,12-13,17-18,34H2,1-7H3,(H,35,43)/t19-,23-/m1/s1
• InChIKey: PUWYYEAXBBATRI-AUSIDOKSSA-N
• XLogP: 4.25
• TPSA: 123.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	600.77
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide (CID 167416919) is N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide.

What is the SMILES notation for N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide is COc1cc(C(=O)N2C[C@H](N)CCN2C)cc2nc(-c3cc4ccc([C@@H](C)NC(=O)C(C)(C)C)nc4n3CC3CC3)n(C)c12.

What is the InChIKey of N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide?

The InChIKey is PUWYYEAXBBATRI-AUSIDOKSSA-N. The full InChI is InChI=1S/C33H44N8O3/c1-19(35-32(43)33(2,3)4)24-11-10-21-15-26(40(29(21)36-24)17-20-8-9-20)30-37-25-14-22(16-27(44-7)28(25)39(30)6)31(42)41-18-23(34)12-13-38(41)5/h10-11,14-16,19-20,23H,8-9,12-13,17-18,34H2,1-7H3,(H,35,43)/t19-,23-/m1/s1.

What are the key properties of N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide?

N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 600.77 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[2-[5-[(5R)-5-amino-2-methyldiazinane-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 167416919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).