1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine

C21H27N7O — CID 134809221

About 1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine

1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine (PubChem CID 134809221) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine.

Molecular Properties

• Compound Name: 1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine
• PubChem CID: 134809221
• Molecular Formula: C21H27N7O
• Molecular Weight: 393.50 g/mol
• Exact Mass: 393.23
• IUPAC Name: 1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine
• SMILES: Cc1noc(C)c1-c1cc2c(cc(C)n2CCN(C)C)c(Nc2ccn(C)n2)n1
• InChI: InChI=1S/C21H27N7O/c1-13-11-16-18(28(13)10-9-26(4)5)12-17(20-14(2)25-29-15(20)3)22-21(16)23-19-7-8-27(6)24-19/h7-8,11-12H,9-10H2,1-6H3,(H,22,23,24)
• InChIKey: XGCVSEZAWPNVNB-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 76.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.50
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine?

The IUPAC name of 1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine (CID 134809221) is 1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine.

What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine?

The canonical SMILES for 1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine is Cc1noc(C)c1-c1cc2c(cc(C)n2CCN(C)C)c(Nc2ccn(C)n2)n1.

What is the InChIKey of 1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine?

The InChIKey is XGCVSEZAWPNVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c1-13-11-16-18(28(13)10-9-26(4)5)12-17(20-14(2)25-29-15(20)3)22-21(16)23-19-7-8-27(6)24-19/h7-8,11-12H,9-10H2,1-6H3,(H,22,23,24).

What are the key properties of 1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine?

1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine has a molecular weight of 393.50 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(dimethylamino)ethyl]-6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(1-methylpyrazol-3-yl)pyrrolo[3,2-c]pyridin-4-amine is sourced from PubChem (CID 134809221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).