4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine

C24H22FN5O3 — CID 22273636

IUPAC4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1c(OCC(C)OCc2ccccc2)cn2ncnc(Oc3cnc4[nH]ccc4c3F)c12
InChIInChI=1S/C24H22FN5O3/c1-15(31-13-17-6-4-3-5-7-17)12-32-20-11-30-22(16(20)2)24(28-14-29-30)33-19-10-27-23-18(21(19)25)8-9-26-23/h3-11,14-15H,12-13H2,1-2H3,(H,26,27)
InChIKeyRFBLCBGAMMSIOL-UHFFFAOYSA-N
MW447.47 g/mol
LogP4.83
Rot. Bonds8

About 4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine

4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 22273636) has the molecular formula C24H22FN5O3 and a molecular weight of 447.47 g/mol. Its IUPAC name is 4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine
PubChem CID22273636
Molecular FormulaC24H22FN5O3
Molecular Weight447.47 g/mol
Exact Mass447.17
IUPAC Name4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine
SMILESCc1c(OCC(C)OCc2ccccc2)cn2ncnc(Oc3cnc4[nH]ccc4c3F)c12
InChIInChI=1S/C24H22FN5O3/c1-15(31-13-17-6-4-3-5-7-17)12-32-20-11-30-22(16(20)2)24(28-14-29-30)33-19-10-27-23-18(21(19)25)8-9-26-23/h3-11,14-15H,12-13H2,1-2H3,(H,26,27)
InChIKeyRFBLCBGAMMSIOL-UHFFFAOYSA-N
XLogP4.83
TPSA86.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.47
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine with MolForge

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Related Compounds

4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-[2-(sulfamoylamino)ethoxy]pyrrolo[2,1-f][1,2,4]triazine
CID 22273647
(2S)-1-[4-[(4-fluoro-2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
CID 67120338
(2R)-1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol;1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-one
CID 157386144
2-[[1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yloxy-[(1-oxo-1-propan-2-yloxypropan-2-yl)amino]phosphoryl]amino]propanoic acid
CID 175098404
4-phenylmethoxy-7H-pyrrolo[2,3-d]pyrimidine
CID 11253095
4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-(3-methylsulfinylpropoxy)pyrrolo[2,1-f][1,2,4]triazine
CID 22508860
4-iodo-5-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
CID 130119797
1-[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-yl N-[2-[2-(icosa-5,8,11,14,17-pentaenoylamino)ethyldisulfanyl]ethyl]carbamate
CID 123826407
1-N'-[2-fluoro-4-[6-[(2R)-2-hydroxypropoxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 78426321
4-[[4-fluoro-2-(hydroxymethyl)-1H-indol-5-yl]oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol
CID 118753101
CID 89189472
CID 89189472
N-methyl-2-(2-phenylmethoxypropoxy)ethanamine
CID 175417034

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine (CID 22273636) is 4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine is Cc1c(OCC(C)OCc2ccccc2)cn2ncnc(Oc3cnc4[nH]ccc4c3F)c12.
What is the InChIKey of 4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is RFBLCBGAMMSIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3/c1-15(31-13-17-6-4-3-5-7-17)12-32-20-11-30-22(16(20)2)24(28-14-29-30)33-19-10-27-23-18(21(19)25)8-9-26-23/h3-11,14-15H,12-13H2,1-2H3,(H,26,27).
What are the key properties of 4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine?
4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 447.47 g/mol, XLogP of 4.83, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methyl-6-(2-phenylmethoxypropoxy)pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 22273636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).