N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide

C34H43N7O4 — CID 177065571

About N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide

N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide (PubChem CID 177065571) has the molecular formula C34H43N7O4 and a molecular weight of 613.76 g/mol. Its IUPAC name is N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

• Compound Name: N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide
• PubChem CID: 177065571
• Molecular Formula: C34H43N7O4
• Molecular Weight: 613.76 g/mol
• Exact Mass: 613.34
• IUPAC Name: N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide
• SMILES: COc1cc(C(=O)N2CC3CC(O)C2C3N)cc2nc(-c3cc4ccc([C@@H](C)NC(=O)C(C)(C)C)nc4n3CC3CC3)c(C)n12
• InChI: InChI=1S/C34H43N7O4/c1-17(36-33(44)34(3,4)5)23-10-9-20-11-24(39(31(20)37-23)15-19-7-8-19)29-18(2)41-26(38-29)13-21(14-27(41)45-6)32(43)40-16-22-12-25(42)30(40)28(22)35/h9-11,13-14,17,19,22,25,28,30,42H,7-8,12,15-16,35H2,1-6H3,(H,36,44)/t17-,22?,25?,28?,30?/m1/s1
• InChIKey: MRMHTPNKURNTAX-SZPOXNEMSA-N
• XLogP: 3.83
• TPSA: 140.01 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	613.76
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide?

The IUPAC name of N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide (CID 177065571) is N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-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-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide?

The canonical SMILES for N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide is COc1cc(C(=O)N2CC3CC(O)C2C3N)cc2nc(-c3cc4ccc([C@@H](C)NC(=O)C(C)(C)C)nc4n3CC3CC3)c(C)n12.

What is the InChIKey of N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide?

The InChIKey is MRMHTPNKURNTAX-SZPOXNEMSA-N. The full InChI is InChI=1S/C34H43N7O4/c1-17(36-33(44)34(3,4)5)23-10-9-20-11-24(39(31(20)37-23)15-19-7-8-19)29-18(2)41-26(38-29)13-21(14-27(41)45-6)32(43)40-16-22-12-25(42)30(40)28(22)35/h9-11,13-14,17,19,22,25,28,30,42H,7-8,12,15-16,35H2,1-6H3,(H,36,44)/t17-,22?,25?,28?,30?/m1/s1.

What are the key properties of N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide?

N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide has a molecular weight of 613.76 g/mol, XLogP of 3.83, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-[2-[7-(7-amino-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carbonyl)-5-methoxy-3-methylimidazo[1,2-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 177065571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).