4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane

C19H22ClN7 — CID 169238010

About 4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane

4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane (PubChem CID 169238010) has the molecular formula C19H22ClN7 and a molecular weight of 383.89 g/mol. Its IUPAC name is 4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane.

Molecular Properties

• Compound Name: 4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane
• PubChem CID: 169238010
• Molecular Formula: C19H22ClN7
• Molecular Weight: 383.89 g/mol
• Exact Mass: 383.16
• IUPAC Name: 4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane
• SMILES: CC.Cc1c(-c2ccn(C3CC3)n2)cn2nc(-c3nccn3C)nc(Cl)c12
• InChI: InChI=1S/C17H16ClN7.C2H6/c1-10-12(13-5-7-24(21-13)11-3-4-11)9-25-14(10)15(18)20-16(22-25)17-19-6-8-23(17)2;1-2/h5-9,11H,3-4H2,1-2H3;1-2H3
• InChIKey: SGCNABSWFMRKGB-UHFFFAOYSA-N
• XLogP: 4.32
• TPSA: 65.83 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.89
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane?

The IUPAC name of 4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane (CID 169238010) is 4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane.

What is the SMILES notation for 4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane?

The canonical SMILES for 4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane is CC.Cc1c(-c2ccn(C3CC3)n2)cn2nc(-c3nccn3C)nc(Cl)c12.

What is the InChIKey of 4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane?

The InChIKey is SGCNABSWFMRKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN7.C2H6/c1-10-12(13-5-7-24(21-13)11-3-4-11)9-25-14(10)15(18)20-16(22-25)17-19-6-8-23(17)2;1-2/h5-9,11H,3-4H2,1-2H3;1-2H3.

What are the key properties of 4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane?

4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane has a molecular weight of 383.89 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-(1-cyclopropylpyrazol-3-yl)-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazine;ethane is sourced from PubChem (CID 169238010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).