tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene

C35H39N5O4S — CID 176973989

About tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene

tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene (PubChem CID 176973989) has the molecular formula C35H39N5O4S and a molecular weight of 625.80 g/mol. Its IUPAC name is tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene.

Molecular Properties

• Compound Name: tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene
• PubChem CID: 176973989
• Molecular Formula: C35H39N5O4S
• Molecular Weight: 625.80 g/mol
• Exact Mass: 625.27
• IUPAC Name: tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene
• SMILES: CC(C)(C)OC(=O)N1Cc2cc(CNC(=O)C3CCc4cnc(N)c(=O)n43)sc2C1.c1ccc(-c2ccc3c(c2)CCC3)cc1
• InChI: InChI=1S/C20H25N5O4S.C15H14/c1-20(2,3)29-19(28)24-9-11-6-13(30-15(11)10-24)8-23-17(26)14-5-4-12-7-22-16(21)18(27)25(12)14;1-2-5-12(6-3-1)15-10-9-13-7-4-8-14(13)11-15/h6-7,14H,4-5,8-10H2,1-3H3,(H2,21,22)(H,23,26);1-3,5-6,9-11H,4,7-8H2
• InChIKey: MCFQEGXUGZCSLU-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 119.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	625.80
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene?

The IUPAC name of tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene (CID 176973989) is tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene.

What is the SMILES notation for tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene?

The canonical SMILES for tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene is CC(C)(C)OC(=O)N1Cc2cc(CNC(=O)C3CCc4cnc(N)c(=O)n43)sc2C1.c1ccc(-c2ccc3c(c2)CCC3)cc1.

What is the InChIKey of tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene?

The InChIKey is MCFQEGXUGZCSLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S.C15H14/c1-20(2,3)29-19(28)24-9-11-6-13(30-15(11)10-24)8-23-17(26)14-5-4-12-7-22-16(21)18(27)25(12)14;1-2-5-12(6-3-1)15-10-9-13-7-4-8-14(13)11-15/h6-7,14H,4-5,8-10H2,1-3H3,(H2,21,22)(H,23,26);1-3,5-6,9-11H,4,7-8H2.

What are the key properties of tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene?

tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene has a molecular weight of 625.80 g/mol, XLogP of 5.78, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[(3-amino-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carbonyl)amino]methyl]-4,6-dihydrothieno[2,3-c]pyrrole-5-carboxylate;5-phenyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 176973989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).