(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

C24H27ClN6O2 — CID 177114799

About (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (PubChem CID 177114799) has the molecular formula C24H27ClN6O2 and a molecular weight of 466.97 g/mol. Its IUPAC name is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

• Compound Name: (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• PubChem CID: 177114799
• Molecular Formula: C24H27ClN6O2
• Molecular Weight: 466.97 g/mol
• Exact Mass: 466.19
• IUPAC Name: (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide
• SMILES: Cc1ccc(CNc2nc(Cl)c3n(c2=O)[C@H](C(=O)NCc2ccc(N)nc2C)CC3)cc1C
• InChI: InChI=1S/C24H27ClN6O2/c1-13-4-5-16(10-14(13)2)11-27-22-24(33)31-18(21(25)30-22)7-8-19(31)23(32)28-12-17-6-9-20(26)29-15(17)3/h4-6,9-10,19H,7-8,11-12H2,1-3H3,(H2,26,29)(H,27,30)(H,28,32)/t19-/m0/s1
• InChIKey: YOBYOPBUWUPRSE-IBGZPJMESA-N
• XLogP: 3.21
• TPSA: 114.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.97
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The IUPAC name of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide (CID 177114799) is (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide.

What is the SMILES notation for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The canonical SMILES for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is Cc1ccc(CNc2nc(Cl)c3n(c2=O)[C@H](C(=O)NCc2ccc(N)nc2C)CC3)cc1C.

What is the InChIKey of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

The InChIKey is YOBYOPBUWUPRSE-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27ClN6O2/c1-13-4-5-16(10-14(13)2)11-27-22-24(33)31-18(21(25)30-22)7-8-19(31)23(32)28-12-17-6-9-20(26)29-15(17)3/h4-6,9-10,19H,7-8,11-12H2,1-3H3,(H2,26,29)(H,27,30)(H,28,32)/t19-/m0/s1.

What are the key properties of (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide?

(6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 466.97 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (6S)-N-[(6-amino-2-methyl-3-pyridinyl)methyl]-1-chloro-3-[(3,4-dimethylphenyl)methylamino]-4-oxo-7,8-dihydro-6H-pyrrolo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 177114799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).