(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

C56H58N10O8 — CID 54660979

About (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (PubChem CID 54660979) has the molecular formula C56H58N10O8 and a molecular weight of 999.14 g/mol. Its IUPAC name is (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide.

Molecular Properties

• Compound Name: (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
• PubChem CID: 54660979
• Molecular Formula: C56H58N10O8
• Molecular Weight: 999.14 g/mol
• Exact Mass: 998.44
• IUPAC Name: (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
• SMILES: C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)N(C(=O)c3cnccn3)[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)N(C(=O)c3cnccn3)[C@H]21
• InChI: InChI=1S/2C28H29N5O4/c2*1-3-7-19-10-11-23-24-20(15-32(23)27(19)36)21(16-34)25(33(24)28(37)22-14-29-12-13-30-22)26(35)31-17(2)18-8-5-4-6-9-18/h2*3-14,17,20-21,24-25,34H,15-16H2,1-2H3,(H,31,35)/b7-3+;7-3-/t2*17-,20-,21-,24+,25-/m11/s1
• InChIKey: UURQJTAZHVTRJQ-NVCLPCFHSA-N
• XLogP: 4.71
• TPSA: 234.84 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	999.14
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide?

The IUPAC name of (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CID 54660979) is (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide.

What is the SMILES notation for (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide?

The canonical SMILES for (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide is C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)N(C(=O)c3cnccn3)[C@H]21.C/C=C\c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N[C@H](C)c3ccccc3)N(C(=O)c3cnccn3)[C@H]21.

What is the InChIKey of (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide?

The InChIKey is UURQJTAZHVTRJQ-NVCLPCFHSA-N. The full InChI is InChI=1S/2C28H29N5O4/c2*1-3-7-19-10-11-23-24-20(15-32(23)27(19)36)21(16-34)25(33(24)28(37)22-14-29-12-13-30-22)26(35)31-17(2)18-8-5-4-6-9-18/h2*3-14,17,20-21,24-25,34H,15-16H2,1-2H3,(H,31,35)/b7-3+;7-3-/t2*17-,20-,21-,24+,25-/m11/s1.

What are the key properties of (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide?

(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide has a molecular weight of 999.14 g/mol, XLogP of 4.71, 12 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(Z)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide;(2R,3R,3aS,9bS)-3-(hydroxymethyl)-6-oxo-N-[(1R)-1-phenylethyl]-7-[(E)-prop-1-enyl]-1-(pyrazine-2-carbonyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide is sourced from PubChem (CID 54660979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).