1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol

C24H23FN4O2 — CID 156878859

IUPAC1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol
SMILESCNc1ncc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cccc(O)c23)cn1
InChIInChI=1S/C24H23FN4O2/c1-26-24-27-13-16(14-28-24)21-22-19(3-2-4-20(22)30)29(18-7-5-17(25)6-8-18)23(21)15-9-11-31-12-10-15/h2-8,13-15,30H,9-12H2,1H3,(H,26,27,28)
InChIKeyYVCRCNWYHOBYME-UHFFFAOYSA-N
MW418.47 g/mol
LogP4.87
Rot. Bonds4

About 1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol

1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol (PubChem CID 156878859) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol
PubChem CID156878859
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol
SMILESCNc1ncc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cccc(O)c23)cn1
InChIInChI=1S/C24H23FN4O2/c1-26-24-27-13-16(14-28-24)21-22-19(3-2-4-20(22)30)29(18-7-5-17(25)6-8-18)23(21)15-9-11-31-12-10-15/h2-8,13-15,30H,9-12H2,1H3,(H,26,27,28)
InChIKeyYVCRCNWYHOBYME-UHFFFAOYSA-N
XLogP4.87
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Meridianin A
CID 10421236
2-Aminoquinazoline 27
CID 135399743
Tilfrinib
CID 76332983
2-Aminoquinazoline 25
CID 135402986
1-((3-(Dimethylamino)-2-methylpropyl)amino)-4,5-dimethyl-5H-pyrido(4,3-b)indol-8-ol
CID 181399
1-((3-(Diethylamino)propyl)amino)-4,5-dimethyl-5H-pyrido(4,3-b)indol-8-ol
CID 183284
5H-Pyrido(4,3-b)indol-8-ol, 1-((3-(dimethylamino)propyl)amino)-4,5-dimethyl-
CID 183285
1-[2-(Diethylamino)ethylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
CID 183296
1-[4-(Diethylamino)butylamino]-4,5-dimethylpyrido[4,3-b]indol-8-ol
CID 183298
4-(4-methoxy-1H-indol-3-yl)pyrimidin-2-amine
CID 53381002
1-((3-(Dimethylamino)propyl)amino)-5-methyl-5H-pyrido(4,3-b)indol-8-ol
CID 181400
1-((3-(Diethylamino)-2-hydroxypropyl)amino)-4,5-dimethyl-5H-pyrido(4,3-b)indol-8-ol
CID 181401

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol?
The IUPAC name of 1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol (CID 156878859) is 1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol?
The canonical SMILES for 1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol is CNc1ncc(-c2c(C3CCOCC3)n(-c3ccc(F)cc3)c3cccc(O)c23)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol?
The InChIKey is YVCRCNWYHOBYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-26-24-27-13-16(14-28-24)21-22-19(3-2-4-20(22)30)29(18-7-5-17(25)6-8-18)23(21)15-9-11-31-12-10-15/h2-8,13-15,30H,9-12H2,1H3,(H,26,27,28).
What are the key properties of 1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol?
1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol has a molecular weight of 418.47 g/mol, XLogP of 4.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[2-(methylamino)pyrimidin-5-yl]-2-(oxan-4-yl)indol-4-ol is sourced from PubChem (CID 156878859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).