(2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol

C17H16FN5O3 — CID 24884602

IUPAC(2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
SMILESCc1c(OC[C@@H](C)O)cn2ncnc(Oc3cnc4[nH]ccc4c3F)c12
InChIInChI=1S/C17H16FN5O3/c1-9(24)7-25-13-6-23-15(10(13)2)17(21-8-22-23)26-12-5-20-16-11(14(12)18)3-4-19-16/h3-6,8-9,24H,7H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyACPWZRGLIIWDAZ-SECBINFHSA-N
MW357.35 g/mol
LogP2.61
Rot. Bonds5

About (2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol

(2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol (PubChem CID 24884602) has the molecular formula C17H16FN5O3 and a molecular weight of 357.35 g/mol. Its IUPAC name is (2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
PubChem CID24884602
Molecular FormulaC17H16FN5O3
Molecular Weight357.35 g/mol
Exact Mass357.12
IUPAC Name(2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
SMILESCc1c(OC[C@@H](C)O)cn2ncnc(Oc3cnc4[nH]ccc4c3F)c12
InChIInChI=1S/C17H16FN5O3/c1-9(24)7-25-13-6-23-15(10(13)2)17(21-8-22-23)26-12-5-20-16-11(14(12)18)3-4-19-16/h3-6,8-9,24H,7H2,1-2H3,(H,19,20)/t9-/m1/s1
InChIKeyACPWZRGLIIWDAZ-SECBINFHSA-N
XLogP2.61
TPSA97.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.35
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol with MolForge

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Related Compounds

Brivanib
CID 11234052
Brivanib Alaninate
CID 11154925
2-(3,5-difluoro-4-((3-(5-methoxy-4-((3-methoxypyridin-4-yl)amino)pyrimidin-2-yl)-1H-indazol-1-yl)methyl)phenoxy)ethan-1-ol
CID 118958833
4-((4-Fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol
CID 9948660
(S)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)propan-2-ol
CID 11703421
2-Propanol, 1-((4-((4-fluoro-2-methyl-1H-indol-5-yl)oxy)-5-methylpyrrolo(2,1-F)(1,2,4)triazin-6-yl)oxy)-, 2-(hydrogen sulfate), (2R)-
CID 51352971
(2R)-1-[4-[[4-fluoro-2-(hydroxymethyl)-1H-indol-5-yl]oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol
CID 51352972
6-Methoxy-5-(1-methylpyrazol-4-yl)-3-(2-propan-2-yloxy-4-pyridinyl)pyrazolo[1,5-a]pyrimidine
CID 162657271
1-[3-(2-Cyclopropyloxy-4-pyridinyl)-5-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]oxy-2-methylpropan-2-ol
CID 162671886
1-[[4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methyl-6-pyrrolo[2,1-f][1,2,4]triazinyl]oxy]-2-propanol
CID 11451527
(R)-1-(4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yloxy)-3-methoxypropan-2-ol
CID 11495012
4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methyl-6-(3-(piperidin-1-yl)propoxy)pyrrolo[2,1-f][1,2,4]triazine
CID 11575755

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol?
The IUPAC name of (2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol (CID 24884602) is (2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-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-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol?
The canonical SMILES for (2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol is Cc1c(OC[C@@H](C)O)cn2ncnc(Oc3cnc4[nH]ccc4c3F)c12.
What is the InChIKey of (2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol?
The InChIKey is ACPWZRGLIIWDAZ-SECBINFHSA-N. The full InChI is InChI=1S/C17H16FN5O3/c1-9(24)7-25-13-6-23-15(10(13)2)17(21-8-22-23)26-12-5-20-16-11(14(12)18)3-4-19-16/h3-6,8-9,24H,7H2,1-2H3,(H,19,20)/t9-/m1/s1.
What are the key properties of (2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol?
(2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol has a molecular weight of 357.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(4-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]oxypropan-2-ol is sourced from PubChem (CID 24884602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).