(6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

C27H25N7O2S2 — CID 178137966

About (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-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-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 178137966) has the molecular formula C27H25N7O2S2 and a molecular weight of 543.68 g/mol. Its IUPAC name is (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-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-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• PubChem CID: 178137966
• Molecular Formula: C27H25N7O2S2
• Molecular Weight: 543.68 g/mol
• Exact Mass: 543.15
• IUPAC Name: (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• SMILES: C[C@@H](Nc1cnc2n(c1=O)[C@H](C(=O)NCc1cc3cnc(N)cc3s1)CC2)c1ncc(-c2ccccc2)s1
• InChI: InChI=1S/C27H25N7O2S2/c1-15(26-32-14-22(38-26)16-5-3-2-4-6-16)33-19-13-30-24-8-7-20(34(24)27(19)36)25(35)31-12-18-9-17-11-29-23(28)10-21(17)37-18/h2-6,9-11,13-15,20,33H,7-8,12H2,1H3,(H2,28,29)(H,31,35)/t15-,20+/m1/s1
• InChIKey: GFXKGFFRNUAOMI-QRWLVFNGSA-N
• XLogP: 4.54
• TPSA: 127.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.68
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-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-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 178137966) is (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-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-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-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-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is C[C@@H](Nc1cnc2n(c1=O)[C@H](C(=O)NCc1cc3cnc(N)cc3s1)CC2)c1ncc(-c2ccccc2)s1.

What is the InChIKey of (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The InChIKey is GFXKGFFRNUAOMI-QRWLVFNGSA-N. The full InChI is InChI=1S/C27H25N7O2S2/c1-15(26-32-14-22(38-26)16-5-3-2-4-6-16)33-19-13-30-24-8-7-20(34(24)27(19)36)25(35)31-12-18-9-17-11-29-23(28)10-21(17)37-18/h2-6,9-11,13-15,20,33H,7-8,12H2,1H3,(H2,28,29)(H,31,35)/t15-,20+/m1/s1.

What are the key properties of (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-4-oxo-3-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-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-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 543.68 g/mol, XLogP of 4.54, 7 rotatable bonds, 3 hydrogen bond donors, and 10 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-[[(1R)-1-(5-phenyl-1,3-thiazol-2-yl)ethyl]amino]-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 178137966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).