6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole

C40H30BCl3F6N10O2 — CID 159266282

IUPAC6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
SMILESCC1(C)OB(c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)OC1(C)C.Clc1ccnc(Cl)n1.FC(F)(F)c1cccc(-n2ncc3ccc(-c4ccnc(Cl)n4)cc32)n1
InChIInChI=1S/C19H19BF3N3O2.C17H9ClF3N5.C4H2Cl2N2/c1-17(2)18(3,4)28-20(27-17)13-9-8-12-11-24-26(14(12)10-13)16-7-5-6-15(25-16)19(21,22)23;18-16-22-7-6-12(24-16)10-4-5-11-9-23-26(13(11)8-10)15-3-1-2-14(25-15)17(19,20)21;5-3-1-2-7-4(6)8-3/h5-11H,1-4H3;1-9H;1-2H
InChIKeyKXDJAHWMBIAAIR-UHFFFAOYSA-N
MW913.91 g/mol
LogP10.07
Rot. Bonds4

About 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole

6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole (PubChem CID 159266282) has the molecular formula C40H30BCl3F6N10O2 and a molecular weight of 913.91 g/mol. Its IUPAC name is 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole.

Molecular Properties

Compound Name6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
PubChem CID159266282
Molecular FormulaC40H30BCl3F6N10O2
Molecular Weight913.91 g/mol
Exact Mass912.16
IUPAC Name6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole
SMILESCC1(C)OB(c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)OC1(C)C.Clc1ccnc(Cl)n1.FC(F)(F)c1cccc(-n2ncc3ccc(-c4ccnc(Cl)n4)cc32)n1
InChIInChI=1S/C19H19BF3N3O2.C17H9ClF3N5.C4H2Cl2N2/c1-17(2)18(3,4)28-20(27-17)13-9-8-12-11-24-26(14(12)10-13)16-7-5-6-15(25-16)19(21,22)23;18-16-22-7-6-12(24-16)10-4-5-11-9-23-26(13(11)8-10)15-3-1-2-14(25-15)17(19,20)21;5-3-1-2-7-4(6)8-3/h5-11H,1-4H3;1-9H;1-2H
InChIKeyKXDJAHWMBIAAIR-UHFFFAOYSA-N
XLogP10.07
TPSA131.44 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds4
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500913.91
LogP ≤ 510.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole with MolForge

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Related Compounds

5-Bromopyridin-3-amine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;5-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridin-3-amine
CID 157465821
2-Chloro-5,6-dihydrocyclopenta[b]pyridin-7-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-5,6-dihydrocyclopenta[b]pyridin-7-one
CID 157796032
2-Bromo-6-(trifluoromethyl)pyridine;5-chloropyrazolo[1,5-a]pyrimidine;5-(2-chloro-3-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;5-[2-[6-(trifluoromethyl)-2-pyridinyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 158030714
4,6-Dichloropyrimidine;1-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7-(trifluoromethyl)indazole
CID 158120235
6-(6-Chloro-4-methyl-2-pyridinyl)-1-(6-methyl-2-pyridinyl)indazole;2,6-dichloro-4-(trifluoromethyl)pyridine;1-(6-methyl-2-pyridinyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole
CID 159172760
2-chloro-5-(trifluoromethyl)pyridine;4-isocyano-N-methyl-N-[[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline;4-isocyano-N-methyl-N-[[3-[5-(trifluoromethyl)-2-pyridinyl]pyrazolo[1,5-a]pyridin-5-yl]methyl]aniline;methane
CID 159795205
6-(2-Chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-cyano-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile
CID 160259560
2-chloro-6,7-dihydro-5H-quinolin-8-one;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]-6,7-dihydro-5H-quinolin-8-one
CID 160644098
6-(2-Chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile
CID 160812634
2-Chloro-6-(2-methylpyrazolo[1,5-a]pyridin-3-yl)pyridine-4-carbonitrile;2,6-dichloropyridine-4-carbonitrile;4-methylaniline;2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carbonitrile;2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[1,5-a]pyridine
CID 161804912
6-Bromopyridine-2-carbonitrile;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;6-[1-[6-(trifluoromethyl)-2-pyridinyl]indazol-6-yl]pyridine-2-carbonitrile
CID 162035511
4-[6-(6-Methylindazol-1-yl)pyrimidin-4-yl]morpholine;4-[6-(6-pyridin-3-ylindazol-1-yl)pyrimidin-4-yl]morpholine
CID 157172460

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The IUPAC name of 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole (CID 159266282) is 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole.
What is the SMILES notation for 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The canonical SMILES for 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole is CC1(C)OB(c2ccc3cnn(-c4cccc(C(F)(F)F)n4)c3c2)OC1(C)C.Clc1ccnc(Cl)n1.FC(F)(F)c1cccc(-n2ncc3ccc(-c4ccnc(Cl)n4)cc32)n1.
What is the InChIKey of 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
The InChIKey is KXDJAHWMBIAAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BF3N3O2.C17H9ClF3N5.C4H2Cl2N2/c1-17(2)18(3,4)28-20(27-17)13-9-8-12-11-24-26(14(12)10-13)16-7-5-6-15(25-16)19(21,22)23;18-16-22-7-6-12(24-16)10-4-5-11-9-23-26(13(11)8-10)15-3-1-2-14(25-15)17(19,20)21;5-3-1-2-7-4(6)8-3/h5-11H,1-4H3;1-9H;1-2H.
What are the key properties of 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole?
6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole has a molecular weight of 913.91 g/mol, XLogP of 10.07, 4 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;2,4-dichloropyrimidine;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole is sourced from PubChem (CID 159266282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).