N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide

C25H29N5O3S — CID 151847695

About N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide

N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 151847695) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
• PubChem CID: 151847695
• Molecular Formula: C25H29N5O3S
• Molecular Weight: 479.61 g/mol
• Exact Mass: 479.20
• IUPAC Name: N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide
• SMILES: CO[C@@]12CNC[C@@H]1CN(c1ccc3c(c1)OC[C@H](NC(=O)c1sc4nc(C)ccc4c1N)C3)C2
• InChI: InChI=1S/C25H29N5O3S/c1-14-3-6-19-21(26)22(34-24(19)28-14)23(31)29-17-7-15-4-5-18(8-20(15)33-11-17)30-10-16-9-27-12-25(16,13-30)32-2/h3-6,8,16-17,27H,7,9-13,26H2,1-2H3,(H,29,31)/t16-,17-,25-/m1/s1
• InChIKey: SHZWQQIWUQXFDV-RYUVBPIJSA-N
• XLogP: 2.35
• TPSA: 101.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.61
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The IUPAC name of N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 151847695) is N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide.

What is the SMILES notation for N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The canonical SMILES for N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide is CO[C@@]12CNC[C@@H]1CN(c1ccc3c(c1)OC[C@H](NC(=O)c1sc4nc(C)ccc4c1N)C3)C2.

What is the InChIKey of N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?

The InChIKey is SHZWQQIWUQXFDV-RYUVBPIJSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-14-3-6-19-21(26)22(34-24(19)28-14)23(31)29-17-7-15-4-5-18(8-20(15)33-11-17)30-10-16-9-27-12-25(16,13-30)32-2/h3-6,8,16-17,27H,7,9-13,26H2,1-2H3,(H,29,31)/t16-,17-,25-/m1/s1.

What are the key properties of N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide?

N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 2.35, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-7-[(3aR,6aR)-3a-methoxy-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3,4-dihydro-2H-chromen-3-yl]-3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 151847695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).