1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine

C161H147N35O17S — CID 158904597

IUPAC1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
SMILESCC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3c2)C1.Cc1cc(Nc2ncnc3ccc(OCCn4ccnc4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(O[C@@H]4CCOC4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(O[C@H]4CCN(C)C4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(O[C@H]4CCN(S(C)(=O)=O)C4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(O[C@H]4CCOC4)cc23)ccc1Oc1ccn2ccnc2c1
InChIInChI=1S/C28H26N6O3.C27H23N7O2.C27H26N6O4S.C27H26N6O2.2C26H23N5O3/c1-18-13-20(3-6-26(18)37-22-7-10-33-12-9-29-27(33)15-22)32-28-24-14-21(4-5-25(24)30-17-31-28)36-23-8-11-34(16-23)19(2)35;1-19-14-20(2-5-25(19)36-22-6-9-34-11-8-29-26(34)16-22)32-27-23-15-21(3-4-24(23)30-17-31-27)35-13-12-33-10-7-28-18-33;1-18-13-19(3-6-25(18)37-21-7-10-32-12-9-28-26(32)15-21)31-27-23-14-20(4-5-24(23)29-17-30-27)36-22-8-11-33(16-22)38(2,34)35;1-18-13-19(3-6-25(18)35-21-8-11-33-12-9-28-26(33)15-21)31-27-23-14-20(4-5-24(23)29-17-30-27)34-22-7-10-32(2)16-22;2*1-17-12-18(2-5-24(17)34-20-6-9-31-10-8-27-25(31)14-20)30-26-22-13-19(33-21-7-11-32-15-21)3-4-23(22)28-16-29-26/h3-7,9-10,12-15,17,23H,8,11,16H2,1-2H3,(H,30,31,32);2-11,14-18H,12-13H2,1H3,(H,30,31,32);3-7,9-10,12-15,17,22H,8,11,16H2,1-2H3,(H,29,30,31);3-6,8-9,11-15,17,22H,7,10,16H2,1-2H3,(H,29,30,31);2*2-6,8-10,12-14,16,21H,7,11,15H2,1H3,(H,28,29,30)/t23-;;2*22-;2*21-/m0.0010/s1
InChIKeyJFWRYJCAJPPWLB-AQZPIGFVSA-N
MW2876.24 g/mol
LogP30.84
Rot. Bonds39

About 1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine

1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine (PubChem CID 158904597) has the molecular formula C161H147N35O17S and a molecular weight of 2876.24 g/mol. Its IUPAC name is 1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine.

Molecular Properties

Compound Name1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
PubChem CID158904597
Molecular FormulaC161H147N35O17S
Molecular Weight2876.24 g/mol
Exact Mass2874.14
IUPAC Name1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine
SMILESCC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3c2)C1.Cc1cc(Nc2ncnc3ccc(OCCn4ccnc4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(O[C@@H]4CCOC4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(O[C@H]4CCN(C)C4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(O[C@H]4CCN(S(C)(=O)=O)C4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(O[C@H]4CCOC4)cc23)ccc1Oc1ccn2ccnc2c1
InChIInChI=1S/C28H26N6O3.C27H23N7O2.C27H26N6O4S.C27H26N6O2.2C26H23N5O3/c1-18-13-20(3-6-26(18)37-22-7-10-33-12-9-29-27(33)15-22)32-28-24-14-21(4-5-25(24)30-17-31-28)36-23-8-11-34(16-23)19(2)35;1-19-14-20(2-5-25(19)36-22-6-9-34-11-8-29-26(34)16-22)32-27-23-15-21(3-4-24(23)30-17-31-27)35-13-12-33-10-7-28-18-33;1-18-13-19(3-6-25(18)37-21-7-10-32-12-9-28-26(32)15-21)31-27-23-14-20(4-5-24(23)29-17-30-27)36-22-8-11-33(16-22)38(2,34)35;1-18-13-19(3-6-25(18)35-21-8-11-33-12-9-28-26(33)15-21)31-27-23-14-20(4-5-24(23)29-17-30-27)34-22-7-10-32(2)16-22;2*1-17-12-18(2-5-24(17)34-20-6-9-31-10-8-27-25(31)14-20)30-26-22-13-19(33-21-7-11-32-15-21)3-4-23(22)28-16-29-26/h3-7,9-10,12-15,17,23H,8,11,16H2,1-2H3,(H,30,31,32);2-11,14-18H,12-13H2,1H3,(H,30,31,32);3-7,9-10,12-15,17,22H,8,11,16H2,1-2H3,(H,29,30,31);3-6,8-9,11-15,17,22H,7,10,16H2,1-2H3,(H,29,30,31);2*2-6,8-10,12-14,16,21H,7,11,15H2,1H3,(H,28,29,30)/t23-;;2*22-;2*21-/m0.0010/s1
InChIKeyJFWRYJCAJPPWLB-AQZPIGFVSA-N
XLogP30.84
TPSA538.63 Ų
H-Bond Donors6
H-Bond Acceptors50
Rotatable Bonds39
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002876.24
LogP ≤ 530.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1050

Analyze 1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine with MolForge

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Related Compounds

N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine
CID 58139892
1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone
CID 58139989
2-[4-(4-Imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-1-(4-methylpiperazin-1-yl)ethanone
CID 58140069
N-[2-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxyethyl]pyrrolidine-1-carboxamide
CID 58140078
1-[2-[4-(4-Imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxyethyl]pyrrolidin-2-one
CID 58140099
ethane;4-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxy-N,N-dimethylpiperidine-1-carboxamide
CID 143466056
bis(7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one);bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-lambda6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine
CID 157079177
CID 157349129
CID 157349129
1-[[4-(3-cyclohexylbenzimidazol-5-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[[4-(3-cyclopentylbenzimidazol-5-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]-1-(4-methylpiperazin-1-yl)ethanone;1-[4-[2-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]pyrrolo[2,3-d]pyrimidin-7-yl]piperidin-1-yl]ethanone;1-[4-[6-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]benzimidazol-1-yl]piperidin-1-yl]ethanone;2-[2-[2-[[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]-4-pyridinyl]pyrrolo[2,3-d]pyrimidin-7-yl]-N-methylacetamide
CID 157503742
7-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxyheptan-2-one;bis(N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]acetamide);N-[3-[4-amino-2-(ethoxymethyl)-1-methylimidazo[4,5-c]quinolin-9-yl]oxypropyl]methanesulfonamide;2-(ethoxymethyl)-1-methyl-9-[2-[2-[(methyl-methylidene-oxo-lambda6-sulfanyl)amino]ethoxy]ethoxy]imidazo[4,5-c]quinolin-4-amine;2-(ethoxymethyl)-1-methyl-9-[5-(methyl-methylidene-oxo-lambda6-sulfanyl)pentoxy]imidazo[4,5-c]quinolin-4-amine
CID 157579407
1-[[4-(7-cyclobutylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[3-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;1-[[4-(7-cyclohexylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;2-[6-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]benzimidazol-1-yl]-1-piperidin-1-ylethanone;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(1-methylpiperidin-4-yl)benzimidazol-5-yl]anilino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(1-methylpyrrolidin-3-yl)benzimidazol-5-yl]phenoxy]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[4-(7-methylpyrrolo[2,3-d]pyrimidin-2-yl)-2-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-[3-(oxan-4-yl)benzimidazol-5-yl]phenoxy]propan-2-ol
CID 157613393
6-cyclohexyloxy-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine;6-(2-imidazol-1-ylethoxy)-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine;6-methoxy-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine;N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-(oxan-2-ylmethoxy)quinazolin-4-amine;N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-(oxan-4-yloxy)quinazolin-4-amine;N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]-6-(oxolan-2-ylmethoxy)quinazolin-4-amine
CID 157644983

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine?
The IUPAC name of 1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine (CID 158904597) is 1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine.
What is the SMILES notation for 1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine?
The canonical SMILES for 1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine is CC(=O)N1CC[C@H](Oc2ccc3ncnc(Nc4ccc(Oc5ccn6ccnc6c5)c(C)c4)c3c2)C1.Cc1cc(Nc2ncnc3ccc(OCCn4ccnc4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(O[C@@H]4CCOC4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(O[C@H]4CCN(C)C4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(O[C@H]4CCN(S(C)(=O)=O)C4)cc23)ccc1Oc1ccn2ccnc2c1.Cc1cc(Nc2ncnc3ccc(O[C@H]4CCOC4)cc23)ccc1Oc1ccn2ccnc2c1.
What is the InChIKey of 1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine?
The InChIKey is JFWRYJCAJPPWLB-AQZPIGFVSA-N. The full InChI is InChI=1S/C28H26N6O3.C27H23N7O2.C27H26N6O4S.C27H26N6O2.2C26H23N5O3/c1-18-13-20(3-6-26(18)37-22-7-10-33-12-9-29-27(33)15-22)32-28-24-14-21(4-5-25(24)30-17-31-28)36-23-8-11-34(16-23)19(2)35;1-19-14-20(2-5-25(19)36-22-6-9-34-11-8-29-26(34)16-22)32-27-23-15-21(3-4-24(23)30-17-31-27)35-13-12-33-10-7-28-18-33;1-18-13-19(3-6-25(18)37-21-7-10-32-12-9-28-26(32)15-21)31-27-23-14-20(4-5-24(23)29-17-30-27)36-22-8-11-33(16-22)38(2,34)35;1-18-13-19(3-6-25(18)35-21-8-11-33-12-9-28-26(33)15-21)31-27-23-14-20(4-5-24(23)29-17-30-27)34-22-7-10-32(2)16-22;2*1-17-12-18(2-5-24(17)34-20-6-9-31-10-8-27-25(31)14-20)30-26-22-13-19(33-21-7-11-32-15-21)3-4-23(22)28-16-29-26/h3-7,9-10,12-15,17,23H,8,11,16H2,1-2H3,(H,30,31,32);2-11,14-18H,12-13H2,1H3,(H,30,31,32);3-7,9-10,12-15,17,22H,8,11,16H2,1-2H3,(H,29,30,31);3-6,8-9,11-15,17,22H,7,10,16H2,1-2H3,(H,29,30,31);2*2-6,8-10,12-14,16,21H,7,11,15H2,1H3,(H,28,29,30)/t23-;;2*22-;2*21-/m0.0010/s1.
What are the key properties of 1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine?
1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine has a molecular weight of 2876.24 g/mol, XLogP of 30.84, 39 rotatable bonds, 6 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-[4-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylanilino)quinazolin-6-yl]oxypyrrolidin-1-yl]ethanone;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-(2-imidazol-1-ylethoxy)quinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-1-methylsulfonylpyrrolidin-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3R)-oxolan-3-yl]oxyquinazolin-4-amine;N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-6-[(3S)-oxolan-3-yl]oxyquinazolin-4-amine is sourced from PubChem (CID 158904597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).