N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide

C29H30N8O2S — CID 176666777

About N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide

N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide (PubChem CID 176666777) has the molecular formula C29H30N8O2S and a molecular weight of 554.68 g/mol. Its IUPAC name is N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide
• PubChem CID: 176666777
• Molecular Formula: C29H30N8O2S
• Molecular Weight: 554.68 g/mol
• Exact Mass: 554.22
• IUPAC Name: N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide
• SMILES: CSc1cncc(C(=O)NCc2cc3nc(-c4cccc(N5CCN6C(C5)C(=O)NC6(C)C)n4)ccc3cn2)c1
• InChI: InChI=1S/C29H30N8O2S/c1-29(2)35-28(39)25-17-36(9-10-37(25)29)26-6-4-5-22(34-26)23-8-7-18-14-31-20(12-24(18)33-23)15-32-27(38)19-11-21(40-3)16-30-13-19/h4-8,11-14,16,25H,9-10,15,17H2,1-3H3,(H,32,38)(H,35,39)
• InChIKey: OEYRWJHKDRVFGG-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 116.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.68
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide?

The IUPAC name of N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide (CID 176666777) is N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide.

What is the SMILES notation for N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide?

The canonical SMILES for N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide is CSc1cncc(C(=O)NCc2cc3nc(-c4cccc(N5CCN6C(C5)C(=O)NC6(C)C)n4)ccc3cn2)c1.

What is the InChIKey of N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide?

The InChIKey is OEYRWJHKDRVFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O2S/c1-29(2)35-28(39)25-17-36(9-10-37(25)29)26-6-4-5-22(34-26)23-8-7-18-14-31-20(12-24(18)33-23)15-32-27(38)19-11-21(40-3)16-30-13-19/h4-8,11-14,16,25H,9-10,15,17H2,1-3H3,(H,32,38)(H,35,39).

What are the key properties of N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide?

N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide has a molecular weight of 554.68 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[6-(3,3-dimethyl-1-oxo-5,6,8,8a-tetrahydro-2H-imidazo[1,5-a]pyrazin-7-yl)-2-pyridinyl]-1,6-naphthyridin-7-yl]methyl]-5-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 176666777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).