2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride

C71H57Cl4F3N16 — CID 167645394

IUPAC2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride
SMILESC.C.C#Cc1ccc2[nH]ncc2c1.Cl.Clc1cccc(-c2ccnc(Cl)n2)n1.Fc1ccc2c(c1)CN(c1nccc(-c3cccc(C#Cc4ccc5[nH]ncc5c4)n3)n1)C2.Fc1ccc2c(c1)CN(c1nccc(-c3cccc(Cl)n3)n1)C2.Fc1ccc2c(c1)CNC2
InChIInChI=1S/C26H17FN6.C17H12ClFN4.C9H5Cl2N3.C9H6N2.C8H8FN.2CH4.ClH/c27-21-7-6-18-15-33(16-20(18)13-21)26-28-11-10-25(31-26)24-3-1-2-22(30-24)8-4-17-5-9-23-19(12-17)14-29-32-23;18-16-3-1-2-14(21-16)15-6-7-20-17(22-15)23-9-11-4-5-13(19)8-12(11)10-23;10-8-3-1-2-6(13-8)7-4-5-12-9(11)14-7;1-2-7-3-4-9-8(5-7)6-10-11-9;9-8-2-1-6-4-10-5-7(6)3-8;;;/h1-3,5-7,9-14H,15-16H2,(H,29,32);1-8H,9-10H2;1-5H;1,3-6H,(H,10,11);1-3,10H,4-5H2;2*1H4;1H
InChIKeyPEZBCPXALVIWEC-UHFFFAOYSA-N
MW1333.15 g/mol
LogP15.84
Rot. Bonds5

About 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride

2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride (PubChem CID 167645394) has the molecular formula C71H57Cl4F3N16 and a molecular weight of 1333.15 g/mol. Its IUPAC name is 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride.

Molecular Properties

Compound Name2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride
PubChem CID167645394
Molecular FormulaC71H57Cl4F3N16
Molecular Weight1333.15 g/mol
Exact Mass1330.37
IUPAC Name2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride
SMILESC.C.C#Cc1ccc2[nH]ncc2c1.Cl.Clc1cccc(-c2ccnc(Cl)n2)n1.Fc1ccc2c(c1)CN(c1nccc(-c3cccc(C#Cc4ccc5[nH]ncc5c4)n3)n1)C2.Fc1ccc2c(c1)CN(c1nccc(-c3cccc(Cl)n3)n1)C2.Fc1ccc2c(c1)CNC2
InChIInChI=1S/C26H17FN6.C17H12ClFN4.C9H5Cl2N3.C9H6N2.C8H8FN.2CH4.ClH/c27-21-7-6-18-15-33(16-20(18)13-21)26-28-11-10-25(31-26)24-3-1-2-22(30-24)8-4-17-5-9-23-19(12-17)14-29-32-23;18-16-3-1-2-14(21-16)15-6-7-20-17(22-15)23-9-11-4-5-13(19)8-12(11)10-23;10-8-3-1-2-6(13-8)7-4-5-12-9(11)14-7;1-2-7-3-4-9-8(5-7)6-10-11-9;9-8-2-1-6-4-10-5-7(6)3-8;;;/h1-3,5-7,9-14H,15-16H2,(H,29,32);1-8H,9-10H2;1-5H;1,3-6H,(H,10,11);1-3,10H,4-5H2;2*1H4;1H
InChIKeyPEZBCPXALVIWEC-UHFFFAOYSA-N
XLogP15.84
TPSA191.88 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001333.15
LogP ≤ 515.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride with MolForge

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Related Compounds

7-[2-chloro-4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(7-fluoro-1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 68666267
5-[3-[7-[3-[3-[C-ethyl-N-[4-ethyl-5-(4-fluorophenyl)-3-pyridinyl]carbonimidoyl]-5-pyridin-3-yl-2H-indazol-7-yl]-4-fluorophenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N,N-dimethylpyridin-3-amine
CID 137122341
N-(1-cyclohexylethenyl)-5-[3-(7-cyclopenta-1,4-dien-1-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridine;ethane
CID 145308173
N-[3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1-[[2-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]anilino]ethyl-methylamino]methyl]indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 154939197
N-[3-[2-[1-[[2-[3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluoroanilino]ethyl-methylamino]methyl]-5-[5-(ethylaminomethyl)-3-pyridinyl]indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]-5-fluorophenyl]-N',N'-dimethylethane-1,2-diamine
CID 156156377
5-chloro-N-[1-[[5-[2,4-difluoro-3-[3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]-1H-indazol-5-yl]phenyl]-1H-imidazol-2-yl]methyl]piperidin-3-yl]-4-(1H-indol-3-yl)pyrimidin-2-amine
CID 156334013
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylimidazol-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-piperidin-1-yl-3H-imidazo[4,5-c]pyridine
CID 157209259
7-(2-chlorophenyl)-N-(1H-indazol-3-yl)-1,6-naphthyridin-5-amine;3-(2-chlorophenyl)-N-(1H-indazol-3-yl)-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(5-fluoro-1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine;N-(1H-indazol-3-yl)-3-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroisoquinolin-1-amine
CID 157212739
N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine)
CID 157260378
N-[2-(2-chlorophenyl)-5,6-dimethylpyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[5-ethyl-6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-5-fluoro-1H-indazol-3-amine;N-[6-methyl-2-[2-(trifluoromethyl)phenyl]pyrimidin-4-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157337387
1-bromo-3-propan-2-ylbenzene;1-chloro-3-propan-2-ylbenzene;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;1-fluoro-3-propan-2-ylbenzene;methane;1-methyl-4-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylbenzimidazole;1-methyl-5-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;1-methyl-5-propan-2-ylindole;1-methyl-6-propan-2-ylindole;1-methyl-7-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;4-propan-2-yl-1H-benzimidazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-3H-indazole;6-propan-2-yl-1H-indene;7-propan-2-yl-1H-indene;4-propan-2-yl-1H-indole;5-propan-2-yl-1H-indole;6-propan-2-ylpyridin-3-amine;5-propan-2-yl-2-(trifluoromethyl)pyridine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 157378604
5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;4-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 157562477

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride?
The IUPAC name of 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride (CID 167645394) is 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride.
What is the SMILES notation for 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride?
The canonical SMILES for 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride is C.C.C#Cc1ccc2[nH]ncc2c1.Cl.Clc1cccc(-c2ccnc(Cl)n2)n1.Fc1ccc2c(c1)CN(c1nccc(-c3cccc(C#Cc4ccc5[nH]ncc5c4)n3)n1)C2.Fc1ccc2c(c1)CN(c1nccc(-c3cccc(Cl)n3)n1)C2.Fc1ccc2c(c1)CNC2.
What is the InChIKey of 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride?
The InChIKey is PEZBCPXALVIWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17FN6.C17H12ClFN4.C9H5Cl2N3.C9H6N2.C8H8FN.2CH4.ClH/c27-21-7-6-18-15-33(16-20(18)13-21)26-28-11-10-25(31-26)24-3-1-2-22(30-24)8-4-17-5-9-23-19(12-17)14-29-32-23;18-16-3-1-2-14(21-16)15-6-7-20-17(22-15)23-9-11-4-5-13(19)8-12(11)10-23;10-8-3-1-2-6(13-8)7-4-5-12-9(11)14-7;1-2-7-3-4-9-8(5-7)6-10-11-9;9-8-2-1-6-4-10-5-7(6)3-8;;;/h1-3,5-7,9-14H,15-16H2,(H,29,32);1-8H,9-10H2;1-5H;1,3-6H,(H,10,11);1-3,10H,4-5H2;2*1H4;1H.
What are the key properties of 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride?
2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride has a molecular weight of 1333.15 g/mol, XLogP of 15.84, 5 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-chloro-2-pyridinyl)pyrimidine;2-[4-(6-chloro-2-pyridinyl)pyrimidin-2-yl]-5-fluoro-1,3-dihydroisoindole;5-ethynyl-1H-indazole;5-fluoro-2,3-dihydro-1H-isoindole;5-[2-[6-[2-(5-fluoro-1,3-dihydroisoindol-2-yl)pyrimidin-4-yl]-2-pyridinyl]ethynyl]-1H-indazole;methane;hydrochloride is sourced from PubChem (CID 167645394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).