3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline

C131H122BrN27O — CID 161064550

IUPAC3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
SMILESCC(=O)Nc1cnc2[nH]cc(-c3cccc(N[C@@H](C)c4ccccc4)c3)c2n1.CCc1cnc2[nH]cc(-c3cccc(N[C@@H](C)c4ccccc4)c3)c2n1.CNc1cnc2[nH]cc(-c3cccc(N[C@@H](C)c4ccccc4)c3)c2n1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(-c4ccccc4)nc23)c1)c1ccccc1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(Br)nc23)c1)c1ccccc1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(N)nc23)c1)c1ccccc1
InChIInChI=1S/C26H22N4.C22H21N5O.C22H22N4.C21H21N5.C20H17BrN4.C20H19N5/c1-18(19-9-4-2-5-10-19)29-22-14-8-13-21(15-22)23-16-27-26-25(23)30-24(17-28-26)20-11-6-3-7-12-20;1-14(16-7-4-3-5-8-16)25-18-10-6-9-17(11-18)19-12-23-22-21(19)27-20(13-24-22)26-15(2)28;1-3-18-13-23-22-21(26-18)20(14-24-22)17-10-7-11-19(12-17)25-15(2)16-8-5-4-6-9-16;1-14(15-7-4-3-5-8-15)25-17-10-6-9-16(11-17)18-12-23-21-20(18)26-19(22-2)13-24-21;2*1-13(14-6-3-2-4-7-14)24-16-9-5-8-15(10-16)17-11-22-20-19(17)25-18(21)12-23-20/h2-18,29H,1H3,(H,27,28);3-14,25H,1-2H3,(H,23,24)(H,26,27,28);4-15,25H,3H2,1-2H3,(H,23,24);3-14,25H,1-2H3,(H,22,26)(H,23,24);2-13,24H,1H3,(H,22,23);2-13,24H,1H3,(H2,21,25)(H,22,23)/t18-;14-;15-;14-;2*13-/m000000/s1
InChIKeyUDVOEAKTBWDXBT-XFMOGUFZSA-N
MW2170.51 g/mol
LogP31.36
Rot. Bonds28

About 3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline

3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline (PubChem CID 161064550) has the molecular formula C131H122BrN27O and a molecular weight of 2170.51 g/mol. Its IUPAC name is 3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline.

Molecular Properties

Compound Name3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
PubChem CID161064550
Molecular FormulaC131H122BrN27O
Molecular Weight2170.51 g/mol
Exact Mass2167.95
IUPAC Name3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline
SMILESCC(=O)Nc1cnc2[nH]cc(-c3cccc(N[C@@H](C)c4ccccc4)c3)c2n1.CCc1cnc2[nH]cc(-c3cccc(N[C@@H](C)c4ccccc4)c3)c2n1.CNc1cnc2[nH]cc(-c3cccc(N[C@@H](C)c4ccccc4)c3)c2n1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(-c4ccccc4)nc23)c1)c1ccccc1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(Br)nc23)c1)c1ccccc1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(N)nc23)c1)c1ccccc1
InChIInChI=1S/C26H22N4.C22H21N5O.C22H22N4.C21H21N5.C20H17BrN4.C20H19N5/c1-18(19-9-4-2-5-10-19)29-22-14-8-13-21(15-22)23-16-27-26-25(23)30-24(17-28-26)20-11-6-3-7-12-20;1-14(16-7-4-3-5-8-16)25-18-10-6-9-17(11-18)19-12-23-22-21(19)27-20(13-24-22)26-15(2)28;1-3-18-13-23-22-21(26-18)20(14-24-22)17-10-7-11-19(12-17)25-15(2)16-8-5-4-6-9-16;1-14(15-7-4-3-5-8-15)25-17-10-6-9-16(11-17)18-12-23-21-20(18)26-19(22-2)13-24-21;2*1-13(14-6-3-2-4-7-14)24-16-9-5-8-15(10-16)17-11-22-20-19(17)25-18(21)12-23-20/h2-18,29H,1H3,(H,27,28);3-14,25H,1-2H3,(H,23,24)(H,26,27,28);4-15,25H,3H2,1-2H3,(H,23,24);3-14,25H,1-2H3,(H,22,26)(H,23,24);2-13,24H,1H3,(H,22,23);2-13,24H,1H3,(H2,21,25)(H,22,23)/t18-;14-;15-;14-;2*13-/m000000/s1
InChIKeyUDVOEAKTBWDXBT-XFMOGUFZSA-N
XLogP31.36
TPSA388.75 Ų
H-Bond Donors15
H-Bond Acceptors21
Rotatable Bonds28
Heavy Atoms160
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002170.51
LogP ≤ 531.36
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1021

Analyze 3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline with MolForge

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Related Compounds

2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]-2-[[2-[4-[2-amino-8-(4-fluorophenyl)-7H-purin-6-yl]piperazin-1-yl]acetyl]-pyridin-3-ylamino]-N-methyl-N-phenylacetamide
CID 87278395
1-[1-[[9-ethyl-2-(5-fluoroindol-1-yl)-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-4-[[[1-[[2-(1H-indol-3-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]methyl]piperidin-4-yl]-methylamino]methyl]pyrrolidin-2-one
CID 90775981
N-[3-[3-[4-[4-fluoro-3-[3-[4-(4-fluorophenyl)-1H-imidazo[4,5-c]pyridin-2-yl]-5-(4-methyl-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridin-7-yl]phenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]phenyl]-2,2-dimethylpropanamide
CID 145244738
2-[4-[3-[[2-[3-[3-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]phenyl]phenyl]-9H-purin-6-yl]amino]phenyl]-6-(trifluoromethyl)-2-pyridinyl]-9-propan-2-yl-N-[2-(trifluoromethyl)-4-pyridinyl]purin-6-amine
CID 155249069
N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;N-[3-[3-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1-methylpyrazol-4-yl)-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 157424870
CID 157458247
CID 157458247
bis((E)-4-(dimethylamino)-N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide);(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)
CID 157535380
7-benzyl-6-methylidene-2-propoxy-5H-pyrrolo[2,3-d]pyrimidin-4-amine;7-benzyl-6-methylidene-2-(trifluoromethyl)-5H-pyrrolo[2,3-d]pyrimidin-4-amine;8-bromo-2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine;2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine;2-N-butyl-7H-purine-2,6-diamine;3,13-dimethyl-1,9,12-triaza-4-azoniatetracyclo[6.5.2.04,15.011,14]pentadeca-4,6,8(15),9,11(14),12-hexaen-10-amine
CID 158354929
2-[2-(ethylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(methylamino)-3-pyridinyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[(1S)-1-[4-(1-methylimidazol-2-yl)phenyl]ethyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(propan-2-ylamino)-3-pyridinyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158839078
CID 158872863
CID 158872863
7-benzyl-6-methylidene-2-propoxy-5H-pyrrolo[2,3-d]pyrimidin-4-amine;1-benzyl-2-methylidene-6-(trifluoromethyl)-3H-pyrrolo[3,2-c]pyridin-4-amine;2-N-butyl-9-[(4-ethylphenyl)methyl]purine-2,6-diamine;2-N-butyl-6-methylidene-7-[(6-methyl-3-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidine-2,4-diamine;2-N-butyl-7H-purine-2,6-diamine;3,13-dimethyl-1,9,12-triaza-4-azoniatetracyclo[6.5.2.04,15.011,14]pentadeca-4,6,8(15),9,11(14),12-hexaen-10-amine
CID 159166076
7-(1-Ethylpiperidin-4-yl)-2-(4-fluorophenyl)-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine;3-(2-ethylpyrimidin-4-yl)-2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)imidazo[1,2-a]pyridine;2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)-3-(2-methylpyrimidin-4-yl)imidazo[1,2-a]pyridine;2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)-3-pyrimidin-4-ylimidazo[1,2-a]pyridine;2-(4-fluorophenyl)-7-(1-methylpiperidin-4-yl)-3-[2-(trifluoromethyl)pyrimidin-4-yl]imidazo[1,2-a]pyridine;2-(4-fluorophenyl)-3-(2-methylpyrimidin-4-yl)-7-piperidin-4-ylimidazo[1,2-a]pyridine
CID 159241490

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline?
The IUPAC name of 3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline (CID 161064550) is 3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline.
What is the SMILES notation for 3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline?
The canonical SMILES for 3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline is CC(=O)Nc1cnc2[nH]cc(-c3cccc(N[C@@H](C)c4ccccc4)c3)c2n1.CCc1cnc2[nH]cc(-c3cccc(N[C@@H](C)c4ccccc4)c3)c2n1.CNc1cnc2[nH]cc(-c3cccc(N[C@@H](C)c4ccccc4)c3)c2n1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(-c4ccccc4)nc23)c1)c1ccccc1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(Br)nc23)c1)c1ccccc1.C[C@H](Nc1cccc(-c2c[nH]c3ncc(N)nc23)c1)c1ccccc1.
What is the InChIKey of 3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline?
The InChIKey is UDVOEAKTBWDXBT-XFMOGUFZSA-N. The full InChI is InChI=1S/C26H22N4.C22H21N5O.C22H22N4.C21H21N5.C20H17BrN4.C20H19N5/c1-18(19-9-4-2-5-10-19)29-22-14-8-13-21(15-22)23-16-27-26-25(23)30-24(17-28-26)20-11-6-3-7-12-20;1-14(16-7-4-3-5-8-16)25-18-10-6-9-17(11-18)19-12-23-22-21(19)27-20(13-24-22)26-15(2)28;1-3-18-13-23-22-21(26-18)20(14-24-22)17-10-7-11-19(12-17)25-15(2)16-8-5-4-6-9-16;1-14(15-7-4-3-5-8-15)25-17-10-6-9-16(11-17)18-12-23-21-20(18)26-19(22-2)13-24-21;2*1-13(14-6-3-2-4-7-14)24-16-9-5-8-15(10-16)17-11-22-20-19(17)25-18(21)12-23-20/h2-18,29H,1H3,(H,27,28);3-14,25H,1-2H3,(H,23,24)(H,26,27,28);4-15,25H,3H2,1-2H3,(H,23,24);3-14,25H,1-2H3,(H,22,26)(H,23,24);2-13,24H,1H3,(H,22,23);2-13,24H,1H3,(H2,21,25)(H,22,23)/t18-;14-;15-;14-;2*13-/m000000/s1.
What are the key properties of 3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline?
3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline has a molecular weight of 2170.51 g/mol, XLogP of 31.36, 28 rotatable bonds, 15 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;3-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-N-[(1S)-1-phenylethyl]aniline;N-methyl-7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-amine;N-[7-[3-[[(1S)-1-phenylethyl]amino]phenyl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]acetamide;N-[(1S)-1-phenylethyl]-3-(2-phenyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)aniline is sourced from PubChem (CID 161064550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).