2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol

C17H10F2N4O2 — CID 170685678

IUPAC2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol
SMILESOc1cnc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)nc1
InChIInChI=1S/C17H10F2N4O2/c18-13-4-11(5-15(25)16(13)19)23-14-2-1-9(3-10(14)6-22-23)17-20-7-12(24)8-21-17/h1-8,24-25H
InChIKeyBXQJYECMEBHCJF-UHFFFAOYSA-N
MW340.29 g/mol
LogP3.17
Rot. Bonds2

About 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol

2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol (PubChem CID 170685678) has the molecular formula C17H10F2N4O2 and a molecular weight of 340.29 g/mol. Its IUPAC name is 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol.

Molecular Properties

Compound Name2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol
PubChem CID170685678
Molecular FormulaC17H10F2N4O2
Molecular Weight340.29 g/mol
Exact Mass340.08
IUPAC Name2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol
SMILESOc1cnc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)nc1
InChIInChI=1S/C17H10F2N4O2/c18-13-4-11(5-15(25)16(13)19)23-14-2-1-9(3-10(14)6-22-23)17-20-7-12(24)8-21-17/h1-8,24-25H
InChIKeyBXQJYECMEBHCJF-UHFFFAOYSA-N
XLogP3.17
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-((8-fluoro-6-(1-methyl-1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl)quinolin-3-ol
CID 44181147
Methyl 2-[5-[[5-fluoro-4-(3-hydroxyanilino)pyrimidin-2-yl]amino]indazol-1-yl]acetate
CID 11517080
3-[[5-Fluoro-2-[[1-(3-hydroxypropyl)indazol-6-yl]amino]pyrimidin-4-yl]amino]phenol
CID 11538451
3-[[5-fluoro-2-(1H-indazol-6-ylamino)pyrimidin-4-yl]amino]phenol
CID 11588053
3-[[5-Fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol
CID 11589276
3-[[5-Fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol
CID 11710037
2,6-difluoro-3-[[6-(1H-indazol-5-yl)quinazolin-4-yl]amino]phenol
CID 71610729
US11312712, Example 339
CID 122654428
5-Fluoro-n4-(3-hydroxyphenyl)-n2-[1-(methoxycarbonyl)methyl-indazoline-5-yl]-2,4-pyrimidinediamine
CID 155926738
3-[[4-(1-Ethylindazol-3-yl)pyrimidin-2-yl]amino]phenol
CID 70682823
3-[[4-(1-Methylindazol-3-yl)pyrimidin-2-yl]amino]phenol
CID 70691235
2-(4-Hydroxyphenyl)-3-phenylpyrazolo[1,5-a]pyrimidin-6-ol
CID 136109023

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol?
The IUPAC name of 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol (CID 170685678) is 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol.
What is the SMILES notation for 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol?
The canonical SMILES for 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol is Oc1cnc(-c2ccc3c(cnn3-c3cc(O)c(F)c(F)c3)c2)nc1.
What is the InChIKey of 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol?
The InChIKey is BXQJYECMEBHCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F2N4O2/c18-13-4-11(5-15(25)16(13)19)23-14-2-1-9(3-10(14)6-22-23)17-20-7-12(24)8-21-17/h1-8,24-25H.
What are the key properties of 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol?
2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol has a molecular weight of 340.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-difluoro-5-hydroxyphenyl)indazol-5-yl]pyrimidin-5-ol is sourced from PubChem (CID 170685678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).