(2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol

C20H22N4O3 — CID 58771724

IUPAC(2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
SMILESCc1cc2c(C)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1
InChIInChI=1S/C20H22N4O3/c1-11-7-15-13(3)17(6-5-16(15)23-11)27-20-19-14(4)18(26-9-12(2)25)8-24(19)22-10-21-20/h5-8,10,12,23,25H,9H2,1-4H3/t12-/m1/s1
InChIKeyISCLOEAEYDQDLE-GFCCVEGCSA-N
MW366.42 g/mol
LogP3.69
Rot. Bonds5

About (2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol

(2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol (PubChem CID 58771724) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
PubChem CID58771724
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name(2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
SMILESCc1cc2c(C)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1
InChIInChI=1S/C20H22N4O3/c1-11-7-15-13(3)17(6-5-16(15)23-11)27-20-19-14(4)18(26-9-12(2)25)8-24(19)22-10-21-20/h5-8,10,12,23,25H,9H2,1-4H3/t12-/m1/s1
InChIKeyISCLOEAEYDQDLE-GFCCVEGCSA-N
XLogP3.69
TPSA84.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol?
The IUPAC name of (2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol (CID 58771724) is (2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol.
What is the SMILES notation for (2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol?
The canonical SMILES for (2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol is Cc1cc2c(C)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1.
What is the InChIKey of (2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol?
The InChIKey is ISCLOEAEYDQDLE-GFCCVEGCSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-11-7-15-13(3)17(6-5-16(15)23-11)27-20-19-14(4)18(26-9-12(2)25)8-24(19)22-10-21-20/h5-8,10,12,23,25H,9H2,1-4H3/t12-/m1/s1.
What are the key properties of (2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol?
(2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol has a molecular weight of 366.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(2,4-dimethyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol is sourced from PubChem (CID 58771724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).