2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol

C23H21F3N4O — CID 149217160

IUPAC2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ncc2cncc(C3=CCc4cc(C(F)(F)F)ccc43)c2n1
InChIInChI=1S/C23H21F3N4O/c24-23(25,26)15-6-8-16-13(9-15)5-7-17(16)18-12-27-10-14-11-28-22(30-21(14)18)29-19-3-1-2-4-20(19)31/h6-12,19-20,31H,1-5H2,(H,28,29,30)
InChIKeyXHSNJPJGOHATLR-UHFFFAOYSA-N
MW426.44 g/mol
LogP4.75
Rot. Bonds3

About 2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol

2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 149217160) has the molecular formula C23H21F3N4O and a molecular weight of 426.44 g/mol. Its IUPAC name is 2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID149217160
Molecular FormulaC23H21F3N4O
Molecular Weight426.44 g/mol
Exact Mass426.17
IUPAC Name2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1Nc1ncc2cncc(C3=CCc4cc(C(F)(F)F)ccc43)c2n1
InChIInChI=1S/C23H21F3N4O/c24-23(25,26)15-6-8-16-13(9-15)5-7-17(16)18-12-27-10-14-11-28-22(30-21(14)18)29-19-3-1-2-4-20(19)31/h6-12,19-20,31H,1-5H2,(H,28,29,30)
InChIKeyXHSNJPJGOHATLR-UHFFFAOYSA-N
XLogP4.75
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

trans-(1S,2S)-3,3-difluoro-2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]methyl]cyclohexan-1-amine
CID 161207590
2-[(8-methylpyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
CID 123931498
trans-(1R,2R)-2-[[6-[2-hydroxy-4-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazin-3-yl]amino]cycloheptan-1-ol
CID 171763651
cis-(1R,2S)-4,4-difluoro-2-N-[8-[6-(trifluoromethyl)-1H-indol-3-yl]pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
CID 90037328
2-[3-[[(1R,2R)-2-hydroxycyclohexyl]amino]-5-propan-2-yl-1,2,4-triazin-6-yl]-5-(trifluoromethyl)phenol
CID 171763656
2-[2-fluoro-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 103702887
2-[4-[[(1S,2S)-2-hydroxycyclohexyl]amino]phthalazin-1-yl]-5-(trifluoromethyl)phenol
CID 167292905
2-[2-bromo-4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 115511652
(1S)-2-[[4-[2-hydroxy-4-(trifluoromethyl)phenyl]phthalazin-1-yl]amino]cycloheptan-1-ol
CID 175538440
cis-(1S,2R)-2-N-[8-(6-fluoro-1H-indol-2-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
CID 73057812
trans-(1R,2R)-2-[2-fluoro-5-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102733436
cis-(1R,2S)-2-N-[8-(5-fluoro-1H-indol-3-yl)pyrido[4,3-d]pyrimidin-2-yl]cyclohexane-1,2-diamine
CID 118274748

Frequently Asked Questions

What is the IUPAC name of 2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 149217160) is 2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol is OC1CCCCC1Nc1ncc2cncc(C3=CCc4cc(C(F)(F)F)ccc43)c2n1.
What is the InChIKey of 2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is XHSNJPJGOHATLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N4O/c24-23(25,26)15-6-8-16-13(9-15)5-7-17(16)18-12-27-10-14-11-28-22(30-21(14)18)29-19-3-1-2-4-20(19)31/h6-12,19-20,31H,1-5H2,(H,28,29,30).
What are the key properties of 2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol?
2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 426.44 g/mol, XLogP of 4.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-[5-(trifluoromethyl)-3H-inden-1-yl]pyrido[4,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 149217160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).