6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

C26H30N10O — CID 169238041

IUPAC6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(-c2ccn(C3CC3)n2)cn2nc(-c3nccn3C)nc(Nc3cc(OCCN(C)C)ccn3)c12
InChIInChI=1S/C26H30N10O/c1-17-20(21-8-11-35(31-21)18-5-6-18)16-36-23(17)24(30-25(32-36)26-28-10-12-34(26)4)29-22-15-19(7-9-27-22)37-14-13-33(2)3/h7-12,15-16,18H,5-6,13-14H2,1-4H3,(H,27,29,30,32)
InChIKeyDYLQKEMVTMXPIW-UHFFFAOYSA-N
MW498.60 g/mol
LogP3.72
Rot. Bonds9

About 6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine

6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 169238041) has the molecular formula C26H30N10O and a molecular weight of 498.60 g/mol. Its IUPAC name is 6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID169238041
Molecular FormulaC26H30N10O
Molecular Weight498.60 g/mol
Exact Mass498.26
IUPAC Name6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1c(-c2ccn(C3CC3)n2)cn2nc(-c3nccn3C)nc(Nc3cc(OCCN(C)C)ccn3)c12
InChIInChI=1S/C26H30N10O/c1-17-20(21-8-11-35(31-21)18-5-6-18)16-36-23(17)24(30-25(32-36)26-28-10-12-34(26)4)29-22-15-19(7-9-27-22)37-14-13-33(2)3/h7-12,15-16,18H,5-6,13-14H2,1-4H3,(H,27,29,30,32)
InChIKeyDYLQKEMVTMXPIW-UHFFFAOYSA-N
XLogP3.72
TPSA103.22 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.60
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 169238041) is 6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1c(-c2ccn(C3CC3)n2)cn2nc(-c3nccn3C)nc(Nc3cc(OCCN(C)C)ccn3)c12.
What is the InChIKey of 6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is DYLQKEMVTMXPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N10O/c1-17-20(21-8-11-35(31-21)18-5-6-18)16-36-23(17)24(30-25(32-36)26-28-10-12-34(26)4)29-22-15-19(7-9-27-22)37-14-13-33(2)3/h7-12,15-16,18H,5-6,13-14H2,1-4H3,(H,27,29,30,32).
What are the key properties of 6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 498.60 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopropylpyrazol-3-yl)-N-[4-[2-(dimethylamino)ethoxy]-2-pyridinyl]-5-methyl-2-(1-methylimidazol-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 169238041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).