4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine

C23H30N8O — CID 169237956

IUPAC4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine
SMILESCOCC1CCN(c2nc(-c3nccn3C)nn3cc(-c4ccn(C(C)C)n4)c(C)c23)C1
InChIInChI=1S/C23H30N8O/c1-15(2)30-10-7-19(26-30)18-13-31-20(16(18)3)22(29-9-6-17(12-29)14-32-5)25-21(27-31)23-24-8-11-28(23)4/h7-8,10-11,13,15,17H,6,9,12,14H2,1-5H3
InChIKeyASORSFXRYLGOSA-UHFFFAOYSA-N
MW434.55 g/mol
LogP3.36
Rot. Bonds6

About 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine

4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 169237956) has the molecular formula C23H30N8O and a molecular weight of 434.55 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine
PubChem CID169237956
Molecular FormulaC23H30N8O
Molecular Weight434.55 g/mol
Exact Mass434.25
IUPAC Name4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine
SMILESCOCC1CCN(c2nc(-c3nccn3C)nn3cc(-c4ccn(C(C)C)n4)c(C)c23)C1
InChIInChI=1S/C23H30N8O/c1-15(2)30-10-7-19(26-30)18-13-31-20(16(18)3)22(29-9-6-17(12-29)14-32-5)25-21(27-31)23-24-8-11-28(23)4/h7-8,10-11,13,15,17H,6,9,12,14H2,1-5H3
InChIKeyASORSFXRYLGOSA-UHFFFAOYSA-N
XLogP3.36
TPSA78.30 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine (CID 169237956) is 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine is COCC1CCN(c2nc(-c3nccn3C)nn3cc(-c4ccn(C(C)C)n4)c(C)c23)C1.
What is the InChIKey of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is ASORSFXRYLGOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N8O/c1-15(2)30-10-7-19(26-30)18-13-31-20(16(18)3)22(29-9-6-17(12-29)14-32-5)25-21(27-31)23-24-8-11-28(23)4/h7-8,10-11,13,15,17H,6,9,12,14H2,1-5H3.
What are the key properties of 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine?
4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 434.55 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)pyrrolidin-1-yl]-5-methyl-2-(1-methylimidazol-2-yl)-6-(1-propan-2-ylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 169237956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).