(6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

C23H27N7O3S — CID 178138582

About (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

(6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 178138582) has the molecular formula C23H27N7O3S and a molecular weight of 481.58 g/mol. Its IUPAC name is (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• PubChem CID: 178138582
• Molecular Formula: C23H27N7O3S
• Molecular Weight: 481.58 g/mol
• Exact Mass: 481.19
• IUPAC Name: (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• SMILES: Nc1cc2sc(CNC(=O)[C@@H]3CCc4ncc(NC(=O)CCN5CCCC5)c(=O)n43)cc2cn1
• InChI: InChI=1S/C23H27N7O3S/c24-19-10-18-14(11-25-19)9-15(34-18)12-27-22(32)17-3-4-20-26-13-16(23(33)30(17)20)28-21(31)5-8-29-6-1-2-7-29/h9-11,13,17H,1-8,12H2,(H2,24,25)(H,27,32)(H,28,31)/t17-/m0/s1
• InChIKey: HMTMUEJIHNCTAR-KRWDZBQOSA-N
• XLogP: 1.66
• TPSA: 135.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.58
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 178138582) is (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is Nc1cc2sc(CNC(=O)[C@@H]3CCc4ncc(NC(=O)CCN5CCCC5)c(=O)n43)cc2cn1.

What is the InChIKey of (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The InChIKey is HMTMUEJIHNCTAR-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H27N7O3S/c24-19-10-18-14(11-25-19)9-15(34-18)12-27-22(32)17-3-4-20-26-13-16(23(33)30(17)20)28-21(31)5-8-29-6-1-2-7-29/h9-11,13,17H,1-8,12H2,(H2,24,25)(H,27,32)(H,28,31)/t17-/m0/s1.

What are the key properties of (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

(6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 481.58 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-(3-pyrrolidin-1-ylpropanoylamino)-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 178138582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).