6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile

C35H21ClF3N11 — CID 160812634

IUPAC6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile
SMILESCc1cccc(-n2ncc3ccc(-c4ccnc(C#N)n4)cc32)n1.FC(F)(F)c1cccc(-n2ncc3ccc(-c4ccnc(Cl)n4)cc32)n1
InChIInChI=1S/C18H12N6.C17H9ClF3N5/c1-12-3-2-4-18(22-12)24-16-9-13(5-6-14(16)11-21-24)15-7-8-20-17(10-19)23-15;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/h2-9,11H,1H3;1-9H
InChIKeySEMOXJQBZGATBC-UHFFFAOYSA-N
MW688.08 g/mol
LogP7.61
Rot. Bonds4

About 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile

6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile (PubChem CID 160812634) has the molecular formula C35H21ClF3N11 and a molecular weight of 688.08 g/mol. Its IUPAC name is 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile
PubChem CID160812634
Molecular FormulaC35H21ClF3N11
Molecular Weight688.08 g/mol
Exact Mass687.16
IUPAC Name6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile
SMILESCc1cccc(-n2ncc3ccc(-c4ccnc(C#N)n4)cc32)n1.FC(F)(F)c1cccc(-n2ncc3ccc(-c4ccnc(Cl)n4)cc32)n1
InChIInChI=1S/C18H12N6.C17H9ClF3N5/c1-12-3-2-4-18(22-12)24-16-9-13(5-6-14(16)11-21-24)15-7-8-20-17(10-19)23-15;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/h2-9,11H,1H3;1-9H
InChIKeySEMOXJQBZGATBC-UHFFFAOYSA-N
XLogP7.61
TPSA136.77 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500688.08
LogP ≤ 57.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(Difluoro(6-(1-methyl-1H-pyrazol-4-yl)-1,2,4-triazolo(4,3-b)pyridazin-3-yl)methyl)quinoline
CID 46911863
1-{1-[4-(3-phenyl-5-pyrimidin-2-ylpyridin-2-yl)benzyl]piperidin-4-yl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11191934
1-[1-({4-[3-phenyl-5-(pyridin-2-yl)pyridin-2-yl]phenyl}methyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11249673
4-[6-[4-(4-Methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 60182364
(1S,4S)-2-(4-(3-(1H-indazol-4-yl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)-3-fluorophenyl)-5-methyl-2,5-diazabicyclo[2.2.2]octane
CID 49837087
1-Phenyl-4-[4-[phenyl(2-pyridyl)methyl]piperazin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 3011482
6-[Difluoro-[6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045833
5,7-Difluoro-3-(1-methylpyrazol-4-yl)-6-[1-(5-pyridin-4-yltriazolo[4,5-b]pyrazin-3-yl)ethyl]quinoline
CID 137652089
2,4-diamino-6-[[(1S)-1-[1-pyridin-3-yl-6-(trifluoromethyl)indazol-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 148951751
7-[2-[5-[4-amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]ethyl]-N-methylquinolin-2-amine
CID 156296281
4-[4-[5-[(4-Fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032848
4-[4-[5-[2-(4-Fluorophenyl)propan-2-yl]pyrimidin-2-yl]piperazin-1-yl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 118032872

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile?
The IUPAC name of 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) is 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile.
What is the SMILES notation for 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile?
The canonical SMILES for 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile is Cc1cccc(-n2ncc3ccc(-c4ccnc(C#N)n4)cc32)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;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile?
The InChIKey is SEMOXJQBZGATBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N6.C17H9ClF3N5/c1-12-3-2-4-18(22-12)24-16-9-13(5-6-14(16)11-21-24)15-7-8-20-17(10-19)23-15;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/h2-9,11H,1H3;1-9H.
What are the key properties of 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile?
6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile has a molecular weight of 688.08 g/mol, XLogP of 7.61, 4 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloropyrimidin-4-yl)-1-[6-(trifluoromethyl)-2-pyridinyl]indazole;4-[1-(6-methyl-2-pyridinyl)indazol-6-yl]pyrimidine-2-carbonitrile is sourced from PubChem (CID 160812634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).