6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol

C21H17FN4O — CID 126658848

IUPAC6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
SMILESOC1c2cccnc2CN1Cc1ccc(-c2ccc3[nH]ncc3c2)cc1F
InChIInChI=1S/C21H17FN4O/c22-18-9-14(13-5-6-19-16(8-13)10-24-25-19)3-4-15(18)11-26-12-20-17(21(26)27)2-1-7-23-20/h1-10,21,27H,11-12H2,(H,24,25)
InChIKeyDFPVFNMAZGYGFK-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.77
Rot. Bonds3

About 6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol

6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol (PubChem CID 126658848) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
PubChem CID126658848
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol
SMILESOC1c2cccnc2CN1Cc1ccc(-c2ccc3[nH]ncc3c2)cc1F
InChIInChI=1S/C21H17FN4O/c22-18-9-14(13-5-6-19-16(8-13)10-24-25-19)3-4-15(18)11-26-12-20-17(21(26)27)2-1-7-23-20/h1-10,21,27H,11-12H2,(H,24,25)
InChIKeyDFPVFNMAZGYGFK-UHFFFAOYSA-N
XLogP3.77
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol with MolForge

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Related Compounds

[5-(3-{5-[(4-fluoropiperidin-1-yl)methyl]-1H-indol-2-yl}-1H-indazol-6-yl)-1H-1,2,3-triazol-4-yl]methanol
CID 135520167
Cdk8-IN-4
CID 75202254
2-[5-(5-Methylindazol-1-yl)-3-pyridinyl]propan-2-ol
CID 90252812
(2R)-2-[[6-(1H-indol-7-yl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137634742
(2R)-2-[[6-(2-fluorophenyl)-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137638529
(2R)-2-[[6-[2-(hydroxymethyl)phenyl]-5-(3-methyl-2H-indazol-5-yl)-3-pyridinyl]amino]-2-phenylethanol
CID 137645188
US10435405, Example 196
CID 134327950
4-fluoro-2-[5-(3-hydroxypropylamino)-3-(3-methyl-2H-indazol-5-yl)-2-pyridinyl]phenol
CID 137632162
[4-(3-butyl-2H-pyrazolo[4,3-c]pyridin-4-yl)phenyl]methanol
CID 132458293
{5-[(1,5-dimethyl-1H-indol-2-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
CID 91765199
{5-[2-(1H-indol-3-yl)ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl}methanol
CID 91793719
N'-[(4-fluorophenyl)methyl]-N'-[[5-(1H-indazol-5-yl)-3-pyridinyl]methyl]-N,N-dimethylethane-1,2-diamine
CID 11590771

Frequently Asked Questions

What is the IUPAC name of 6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol (CID 126658848) is 6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol is OC1c2cccnc2CN1Cc1ccc(-c2ccc3[nH]ncc3c2)cc1F.
What is the InChIKey of 6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is DFPVFNMAZGYGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c22-18-9-14(13-5-6-19-16(8-13)10-24-25-19)3-4-15(18)11-26-12-20-17(21(26)27)2-1-7-23-20/h1-10,21,27H,11-12H2,(H,24,25).
What are the key properties of 6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol?
6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 360.39 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-fluoro-4-(1H-indazol-5-yl)phenyl]methyl]-5,7-dihydropyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 126658848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).