N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine

C24H23Cl2N9OS — CID 135160752

About N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine

N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine (PubChem CID 135160752) has the molecular formula C24H23Cl2N9OS and a molecular weight of 556.48 g/mol. Its IUPAC name is N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine.

Molecular Properties

• Compound Name: N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
• PubChem CID: 135160752
• Molecular Formula: C24H23Cl2N9OS
• Molecular Weight: 556.48 g/mol
• Exact Mass: 555.11
• IUPAC Name: N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine
• SMILES: COc1ccc(Cl)c(N(Cc2nccn2SN(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1Cl
• InChI: InChI=1S/C24H23Cl2N9OS/c1-32(2)37-35-10-9-27-21(35)14-34(23-16(25)5-7-19(36-4)22(23)26)20-8-6-17-24(31-20)30-18(12-28-17)15-11-29-33(3)13-15/h5-13H,14H2,1-4H3
• InChIKey: VZIWNZHPYCISFA-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 90.02 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	556.48
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?

The IUPAC name of N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine (CID 135160752) is N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine.

What is the SMILES notation for N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?

The canonical SMILES for N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine is COc1ccc(Cl)c(N(Cc2nccn2SN(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3n2)c1Cl.

What is the InChIKey of N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?

The InChIKey is VZIWNZHPYCISFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23Cl2N9OS/c1-32(2)37-35-10-9-27-21(35)14-34(23-16(25)5-7-19(36-4)22(23)26)20-8-6-17-24(31-20)30-18(12-28-17)15-11-29-33(3)13-15/h5-13H,14H2,1-4H3.

What are the key properties of N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine?

N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine has a molecular weight of 556.48 g/mol, XLogP of 5.25, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dichloro-3-methoxyphenyl)-N-[[1-(dimethylaminosulfanyl)imidazol-2-yl]methyl]-3-(1-methylpyrazol-4-yl)pyrido[2,3-b]pyrazin-6-amine is sourced from PubChem (CID 135160752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).