3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine

C116H109Cl5F3N35 — CID 159115619

IUPAC3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
SMILESCN1CCC(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCN1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCN1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCc1cccnc1
InChIInChI=1S/C24H19ClF3N7.C24H26ClN7.C23H24ClN7.C23H18ClN7.C22H22ClN7/c25-18-11-15(10-16-12-31-34-19(16)18)21-20(14-4-2-1-3-5-14)32-22(29)23(33-21)30-7-9-35-8-6-17(13-35)24(26,27)28;1-32-9-7-15(8-10-32)13-27-24-23(26)29-21(16-5-3-2-4-6-16)22(30-24)17-11-18-14-28-31-20(18)19(25)12-17;24-18-13-16(12-17-14-27-30-19(17)18)21-20(15-6-2-1-3-7-15)28-22(25)23(29-21)26-8-11-31-9-4-5-10-31;24-18-10-16(9-17-13-28-31-19(17)18)21-20(15-6-2-1-3-7-15)29-22(25)23(30-21)27-12-14-5-4-8-26-11-14;23-17-12-15(11-16-13-26-29-18(16)17)20-19(14-5-2-1-3-6-14)27-21(24)22(28-20)25-7-10-30-8-4-9-30/h1-6,8,10-13H,7,9H2,(H2,29,32)(H,30,33)(H,31,34);2-6,11-12,14-15H,7-10,13H2,1H3,(H2,26,29)(H,27,30)(H,28,31);1-3,6-7,12-14H,4-5,8-11H2,(H2,25,28)(H,26,29)(H,27,30);1-11,13H,12H2,(H2,25,29)(H,27,30)(H,28,31);1-3,5-6,11-13H,4,7-10H2,(H2,24,27)(H,25,28)(H,26,29)
InChIKeyKFASDIJLIOFDHY-UHFFFAOYSA-N
MW2227.65 g/mol
LogP23.93
Rot. Bonds28

About 3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine

3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine (PubChem CID 159115619) has the molecular formula C116H109Cl5F3N35 and a molecular weight of 2227.65 g/mol. Its IUPAC name is 3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
PubChem CID159115619
Molecular FormulaC116H109Cl5F3N35
Molecular Weight2227.65 g/mol
Exact Mass2223.80
IUPAC Name3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
SMILESCN1CCC(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCN1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCN1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCc1cccnc1
InChIInChI=1S/C24H19ClF3N7.C24H26ClN7.C23H24ClN7.C23H18ClN7.C22H22ClN7/c25-18-11-15(10-16-12-31-34-19(16)18)21-20(14-4-2-1-3-5-14)32-22(29)23(33-21)30-7-9-35-8-6-17(13-35)24(26,27)28;1-32-9-7-15(8-10-32)13-27-24-23(26)29-21(16-5-3-2-4-6-16)22(30-24)17-11-18-14-28-31-20(18)19(25)12-17;24-18-13-16(12-17-14-27-30-19(17)18)21-20(15-6-2-1-3-7-15)28-22(25)23(29-21)26-8-11-31-9-4-5-10-31;24-18-10-16(9-17-13-28-31-19(17)18)21-20(15-6-2-1-3-7-15)29-22(25)23(30-21)27-12-14-5-4-8-26-11-14;23-17-12-15(11-16-13-26-29-18(16)17)20-19(14-5-2-1-3-6-14)27-21(24)22(28-20)25-7-10-30-8-4-9-30/h1-6,8,10-13H,7,9H2,(H2,29,32)(H,30,33)(H,31,34);2-6,11-12,14-15H,7-10,13H2,1H3,(H2,26,29)(H,27,30)(H,28,31);1-3,6-7,12-14H,4-5,8-11H2,(H2,25,28)(H,26,29)(H,27,30);1-11,13H,12H2,(H2,25,29)(H,27,30)(H,28,31);1-3,5-6,11-13H,4,7-10H2,(H2,24,27)(H,25,28)(H,26,29)
InChIKeyKFASDIJLIOFDHY-UHFFFAOYSA-N
XLogP23.93
TPSA490.09 Ų
H-Bond Donors15
H-Bond Acceptors30
Rotatable Bonds28
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002227.65
LogP ≤ 523.93
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1030

Analyze 3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine with MolForge

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Related Compounds

2-[5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-[3-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-5-(5-piperidin-1-yl-3-pyridinyl)-2H-indazol-7-yl]piperazin-1-yl]-3H-imidazo[4,5-c]pyridine
CID 137076350
5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine
CID 137431341
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
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
4-chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-[2-[(3S)-3-fluoropyrrolidin-1-yl]ethyl]-3,5-diphenylpyrazolo[3,4-c]pyridazine;4-chloro-1-(2-imidazol-1-ylethyl)-3-(3-methylphenyl)-5-phenylpyrazolo[3,4-c]pyridazine
CID 157098914
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
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
3-[(5,8-dichloronaphthalen-2-yl)methyl]-2H-pyrazolo[4,3-b]pyridine;1-(3,3-difluorobutan-2-yl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-[5-(difluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[5-(difluoromethyl)naphthalen-2-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;1-ethyl-3-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;N-[5-(trifluoromethyl)naphthalen-2-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 157274566
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
6-(5-Chloro-3-pyridinyl)-3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-fluoro-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(6-isocyano-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(5-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propan-2-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine;3-[difluoro-(4-fluoro-2-methylindazol-5-yl)methyl]-6-(1-propylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 157642978

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine?
The IUPAC name of 3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine (CID 159115619) is 3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine is CN1CCC(CNc2nc(-c3cc(Cl)c4[nH]ncc4c3)c(-c3ccccc3)nc2N)CC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCN1CCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCN1CCCC1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCCn1ccc(C(F)(F)F)c1.Nc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)nc1NCc1cccnc1.
What is the InChIKey of 3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine?
The InChIKey is KFASDIJLIOFDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClF3N7.C24H26ClN7.C23H24ClN7.C23H18ClN7.C22H22ClN7/c25-18-11-15(10-16-12-31-34-19(16)18)21-20(14-4-2-1-3-5-14)32-22(29)23(33-21)30-7-9-35-8-6-17(13-35)24(26,27)28;1-32-9-7-15(8-10-32)13-27-24-23(26)29-21(16-5-3-2-4-6-16)22(30-24)17-11-18-14-28-31-20(18)19(25)12-17;24-18-13-16(12-17-14-27-30-19(17)18)21-20(15-6-2-1-3-7-15)28-22(25)23(29-21)26-8-11-31-9-4-5-10-31;24-18-10-16(9-17-13-28-31-19(17)18)21-20(15-6-2-1-3-7-15)29-22(25)23(30-21)27-12-14-5-4-8-26-11-14;23-17-12-15(11-16-13-26-29-18(16)17)20-19(14-5-2-1-3-6-14)27-21(24)22(28-20)25-7-10-30-8-4-9-30/h1-6,8,10-13H,7,9H2,(H2,29,32)(H,30,33)(H,31,34);2-6,11-12,14-15H,7-10,13H2,1H3,(H2,26,29)(H,27,30)(H,28,31);1-3,6-7,12-14H,4-5,8-11H2,(H2,25,28)(H,26,29)(H,27,30);1-11,13H,12H2,(H2,25,29)(H,27,30)(H,28,31);1-3,5-6,11-13H,4,7-10H2,(H2,24,27)(H,25,28)(H,26,29).
What are the key properties of 3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine?
3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine has a molecular weight of 2227.65 g/mol, XLogP of 23.93, 28 rotatable bonds, 15 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(azetidin-1-yl)ethyl]-5-(7-chloro-1H-indazol-5-yl)-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-3-N-[(1-methylpiperidin-4-yl)methyl]-6-phenylpyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(pyridin-3-ylmethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-(2-pyrrolidin-1-ylethyl)pyrazine-2,3-diamine;5-(7-chloro-1H-indazol-5-yl)-6-phenyl-3-N-[2-[3-(trifluoromethyl)pyrrol-1-yl]ethyl]pyrazine-2,3-diamine is sourced from PubChem (CID 159115619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).