4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol

C28H24F3N5O — CID 141281121

IUPAC4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cncc(-n3nc(C(F)(F)F)c4c(-c5cnc6ccccc6c5)cccc43)c2)CC1
InChIInChI=1S/C28H24F3N5O/c29-28(30,31)27-26-23(18-12-17-4-1-2-6-24(17)33-14-18)5-3-7-25(26)36(35-27)21-13-20(15-32-16-21)34-19-8-10-22(37)11-9-19/h1-7,12-16,19,22,34,37H,8-11H2
InChIKeyWQPJGNKCELBBIE-UHFFFAOYSA-N
MW503.53 g/mol
LogP6.37
Rot. Bonds4

About 4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol

4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 141281121) has the molecular formula C28H24F3N5O and a molecular weight of 503.53 g/mol. Its IUPAC name is 4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol
PubChem CID141281121
Molecular FormulaC28H24F3N5O
Molecular Weight503.53 g/mol
Exact Mass503.19
IUPAC Name4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2cncc(-n3nc(C(F)(F)F)c4c(-c5cnc6ccccc6c5)cccc43)c2)CC1
InChIInChI=1S/C28H24F3N5O/c29-28(30,31)27-26-23(18-12-17-4-1-2-6-24(17)33-14-18)5-3-7-25(26)36(35-27)21-13-20(15-32-16-21)34-19-8-10-22(37)11-9-19/h1-7,12-16,19,22,34,37H,8-11H2
InChIKeyWQPJGNKCELBBIE-UHFFFAOYSA-N
XLogP6.37
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.53
LogP ≤ 56.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol with MolForge

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Related Compounds

2,2,6,6-tetramethyl-N-[3-(3-methyl-4-quinolin-3-ylindazol-1-yl)phenyl]piperidin-4-amine
CID 141281119
4-(3-methyl-4-quinolin-3-ylindazol-1-yl)-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]benzonitrile
CID 66680661
2-(piperidin-4-ylamino)-4-(4-quinolin-3-ylcarbazol-9-yl)benzamide
CID 58338230
2-[(4-hydroxycyclohexyl)amino]-4-[3-(trifluoromethyl)indazol-1-yl]benzonitrile
CID 141281123
4-N-quinolin-3-ylcyclohexane-1,4-diamine
CID 79724815
5-(4-quinolin-3-ylcarbazol-9-yl)pyridine-2-carbaldehyde
CID 143871523
4-(4-quinolin-3-ylcarbazol-9-yl)-2-[(3,3,5,5-tetramethylcyclohexyl)amino]benzamide
CID 58338310
2-[(4-hydroxycyclohexyl)amino]-4-(4-quinolin-3-ylpyrrolo[2,3-b]pyridin-1-yl)benzamide
CID 67500945
N-(1-methylpiperidin-4-yl)quinolin-3-amine
CID 43691175
5-(3-methyl-4-quinolin-3-ylindazol-1-yl)-3-[(1,2,2,6,6-pentamethylpiperidin-1-ium-1-yl)amino]pyridine-2-carboxamide
CID 66692856
4-(3-imidazol-1-ylanilino)cyclohexan-1-ol
CID 106593713
1-(3-bromo-4-quinolin-3-ylindazol-1-yl)-2-methylpropan-2-ol
CID 174659233

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol (CID 141281121) is 4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol is OC1CCC(Nc2cncc(-n3nc(C(F)(F)F)c4c(-c5cnc6ccccc6c5)cccc43)c2)CC1.
What is the InChIKey of 4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is WQPJGNKCELBBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O/c29-28(30,31)27-26-23(18-12-17-4-1-2-6-24(17)33-14-18)5-3-7-25(26)36(35-27)21-13-20(15-32-16-21)34-19-8-10-22(37)11-9-19/h1-7,12-16,19,22,34,37H,8-11H2.
What are the key properties of 4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol?
4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 503.53 g/mol, XLogP of 6.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-quinolin-3-yl-3-(trifluoromethyl)indazol-1-yl]-3-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 141281121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).