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

C27H24FN7O2S2 — CID 178138147

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

(6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-3-[[(1R)-1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 178138147) has the molecular formula C27H24FN7O2S2 and a molecular weight of 561.67 g/mol. Its IUPAC name is (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-3-[[(1R)-1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-4-oxo-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]-3-[[(1R)-1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• PubChem CID: 178138147
• Molecular Formula: C27H24FN7O2S2
• Molecular Weight: 561.67 g/mol
• Exact Mass: 561.14
• IUPAC Name: (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-3-[[(1R)-1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-4-oxo-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(-c2cccc(F)c2)s1
• InChI: InChI=1S/C27H24FN7O2S2/c1-14(26-33-13-22(39-26)15-3-2-4-17(28)7-15)34-19-12-31-24-6-5-20(35(24)27(19)37)25(36)32-11-18-8-16-10-30-23(29)9-21(16)38-18/h2-4,7-10,12-14,20,34H,5-6,11H2,1H3,(H2,29,30)(H,32,36)/t14-,20+/m1/s1
• InChIKey: XGXYJTQXNPOIHS-VLIAUNLRSA-N
• XLogP: 4.67
• TPSA: 127.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.67
LogP ≤ 5	4.67
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]-3-[[(1R)-1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-4-oxo-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]-3-[[(1R)-1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 178138147) is (6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-3-[[(1R)-1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-4-oxo-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]-3-[[(1R)-1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-4-oxo-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]-3-[[(1R)-1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-4-oxo-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(-c2cccc(F)c2)s1.

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

The InChIKey is XGXYJTQXNPOIHS-VLIAUNLRSA-N. The full InChI is InChI=1S/C27H24FN7O2S2/c1-14(26-33-13-22(39-26)15-3-2-4-17(28)7-15)34-19-12-31-24-6-5-20(35(24)27(19)37)25(36)32-11-18-8-16-10-30-23(29)9-21(16)38-18/h2-4,7-10,12-14,20,34H,5-6,11H2,1H3,(H2,29,30)(H,32,36)/t14-,20+/m1/s1.

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

(6S)-N-[(6-aminothieno[3,2-c]pyridin-2-yl)methyl]-3-[[(1R)-1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 561.67 g/mol, XLogP of 4.67, 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]-3-[[(1R)-1-[5-(3-fluorophenyl)-1,3-thiazol-2-yl]ethyl]amino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 178138147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).