3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol

C20H19FN6O2 — CID 11589276

IUPAC3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol
SMILESOCCCn1ncc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc21
InChIInChI=1S/C20H19FN6O2/c21-17-12-22-20(26-19(17)24-14-3-1-4-16(29)10-14)25-15-5-6-18-13(9-15)11-23-27(18)7-2-8-28/h1,3-6,9-12,28-29H,2,7-8H2,(H2,22,24,25,26)
InChIKeyKRDWLRVIBCQDNS-UHFFFAOYSA-N
MW394.41 g/mol
LogP3.54
Rot. Bonds7

About 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol

3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol (PubChem CID 11589276) has the molecular formula C20H19FN6O2 and a molecular weight of 394.41 g/mol. Its IUPAC name is 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol
PubChem CID11589276
Molecular FormulaC20H19FN6O2
Molecular Weight394.41 g/mol
Exact Mass394.16
IUPAC Name3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol
SMILESOCCCn1ncc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc21
InChIInChI=1S/C20H19FN6O2/c21-17-12-22-20(26-19(17)24-14-3-1-4-16(29)10-14)25-15-5-6-18-13(9-15)11-23-27(18)7-2-8-28/h1,3-6,9-12,28-29H,2,7-8H2,(H2,22,24,25,26)
InChIKeyKRDWLRVIBCQDNS-UHFFFAOYSA-N
XLogP3.54
TPSA108.12 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol with MolForge

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Related Compounds

Tilfrinib
CID 76332983
N-(3-methoxyphenyl)-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661236
3-(6-(1H-indazol-5-ylamino)-2-morpholinopyrimidin-4-yl)phenol
CID 10475366
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-(2-methoxyphenyl)methoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747279
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-phenylmethoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747280
[4-[(1-Benzylindazol-5-yl)amino]-5-ethylpyrrolo[2,1-f][1,2,4]triazin-6-yl]methanol
CID 21945809
(4-[1-(3-Fluoro-benzyl)-1H-indazol-5-ylamino]-pyrrolo[2,1-f][1,2,4]triazin-5-yl}-methanol
CID 22390542
4-[[4-(4-Methoxyindazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 24961360
5-[(E)-methoxyiminomethyl]-4-N-[1-[(3-methoxyphenyl)methyl]indazol-5-yl]pyrimidine-4,6-diamine
CID 44448938
4-N-(2,3-dimethylindazol-6-yl)-2-N-(3-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 54673096
2-N-(3-methoxyphenyl)-4-N-methyl-4-N-(2-methylindazol-6-yl)pyrimidine-2,4-diamine
CID 56649380
4-[[4-[4-(3-Hydroxypropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 59743442

Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol?
The IUPAC name of 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol (CID 11589276) is 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol is OCCCn1ncc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc21.
What is the InChIKey of 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol?
The InChIKey is KRDWLRVIBCQDNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN6O2/c21-17-12-22-20(26-19(17)24-14-3-1-4-16(29)10-14)25-15-5-6-18-13(9-15)11-23-27(18)7-2-8-28/h1,3-6,9-12,28-29H,2,7-8H2,(H2,22,24,25,26).
What are the key properties of 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol?
3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol has a molecular weight of 394.41 g/mol, XLogP of 3.54, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-[[1-(3-hydroxypropyl)indazol-5-yl]amino]pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 11589276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).