(6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

C23H24N8O2S — CID 178138284

About (6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide

(6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (PubChem CID 178138284) has the molecular formula C23H24N8O2S and a molecular weight of 476.57 g/mol. Its IUPAC name is (6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• PubChem CID: 178138284
• Molecular Formula: C23H24N8O2S
• Molecular Weight: 476.57 g/mol
• Exact Mass: 476.17
• IUPAC Name: (6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide
• SMILES: Cn1c(CNC(=O)[C@@H]2CCc3ncc(NCc4nnc(C5CC5)s4)c(=O)n32)cc2cnccc21
• InChI: InChI=1S/C23H24N8O2S/c1-30-15(8-14-9-24-7-6-17(14)30)10-27-21(32)18-4-5-19-26-11-16(23(33)31(18)19)25-12-20-28-29-22(34-20)13-2-3-13/h6-9,11,13,18,25H,2-5,10,12H2,1H3,(H,27,32)/t18-/m0/s1
• InChIKey: DRMLYHXYJLLQNM-SFHVURJKSA-N
• XLogP: 2.27
• TPSA: 119.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.57
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The IUPAC name of (6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide (CID 178138284) is (6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide.

What is the SMILES notation for (6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The canonical SMILES for (6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is Cn1c(CNC(=O)[C@@H]2CCc3ncc(NCc4nnc(C5CC5)s4)c(=O)n32)cc2cnccc21.

What is the InChIKey of (6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

The InChIKey is DRMLYHXYJLLQNM-SFHVURJKSA-N. The full InChI is InChI=1S/C23H24N8O2S/c1-30-15(8-14-9-24-7-6-17(14)30)10-27-21(32)18-4-5-19-26-11-16(23(33)31(18)19)25-12-20-28-29-22(34-20)13-2-3-13/h6-9,11,13,18,25H,2-5,10,12H2,1H3,(H,27,32)/t18-/m0/s1.

What are the key properties of (6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide?

(6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)methylamino]-N-[(1-methylpyrrolo[3,2-c]pyridin-2-yl)methyl]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 178138284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).