(5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C36H38FN7O5 — CID 167258077

About (5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 167258077) has the molecular formula C36H38FN7O5 and a molecular weight of 667.74 g/mol. Its IUPAC name is (5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• PubChem CID: 167258077
• Molecular Formula: C36H38FN7O5
• Molecular Weight: 667.74 g/mol
• Exact Mass: 667.29
• IUPAC Name: (5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• SMILES: COc1cc(C(=O)N2CC(N)C[C@@H](F)C2)cc2nc(-c3cc4ccc(-c5ccc(N6C[C@H](CO)OC6=O)cc5)nc4n3CC3CC3)n(C)c12
• InChI: InChI=1S/C36H38FN7O5/c1-41-32-29(11-23(13-31(32)48-2)35(46)42-16-24(37)14-25(38)17-42)40-34(41)30-12-22-7-10-28(39-33(22)44(30)15-20-3-4-20)21-5-8-26(9-6-21)43-18-27(19-45)49-36(43)47/h5-13,20,24-25,27,45H,3-4,14-19,38H2,1-2H3/t24-,25?,27-/m1/s1
• InChIKey: CHIULSXBIMEZGO-PTYBVJFYSA-N
• XLogP: 4.50
• TPSA: 140.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	667.74
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 167258077) is (5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is COc1cc(C(=O)N2CC(N)C[C@@H](F)C2)cc2nc(-c3cc4ccc(-c5ccc(N6C[C@H](CO)OC6=O)cc5)nc4n3CC3CC3)n(C)c12.

What is the InChIKey of (5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The InChIKey is CHIULSXBIMEZGO-PTYBVJFYSA-N. The full InChI is InChI=1S/C36H38FN7O5/c1-41-32-29(11-23(13-31(32)48-2)35(46)42-16-24(37)14-25(38)17-42)40-34(41)30-12-22-7-10-28(39-33(22)44(30)15-20-3-4-20)21-5-8-26(9-6-21)43-18-27(19-45)49-36(43)47/h5-13,20,24-25,27,45H,3-4,14-19,38H2,1-2H3/t24-,25?,27-/m1/s1.

What are the key properties of (5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

(5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 667.74 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[4-[2-[5-[(5R)-3-amino-5-fluoropiperidine-1-carbonyl]-7-methoxy-1-methylbenzimidazol-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 167258077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).