8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine

C162H162F6N30O — CID 158151594

IUPAC8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine
SMILESCC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2c(-c3ccccc3)cccc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2c(C3CC3)cccc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2ccc(-c3ccccc3)cc12.COc1cccc2nc(-c3c[nH]c4ncc(F)cc34)nc(NC3C4CCC(CC4)C3C)c12.Cc1ccc2nc(-c3c[nH]c4ncc(F)cc34)nc(NC3C4CCC(CC4)C3C)c2c1.Cc1cccc2c(NC3C4CCC(CC4)C3C)nc(-c3c[nH]c4ncc(F)cc34)nc12
InChIInChI=1S/2C30H28FN5.C27H28FN5.C25H26FN5O.2C25H26FN5/c1-17-18-10-12-20(13-11-18)26(17)34-29-23-9-5-8-22(19-6-3-2-4-7-19)27(23)35-30(36-29)25-16-33-28-24(25)14-21(31)15-32-28;1-17-18-7-9-20(10-8-18)27(17)35-29-24-13-21(19-5-3-2-4-6-19)11-12-26(24)34-30(36-29)25-16-33-28-23(25)14-22(31)15-32-28;1-14-15-5-9-17(10-6-15)23(14)31-26-20-4-2-3-19(16-7-8-16)24(20)32-27(33-26)22-13-30-25-21(22)11-18(28)12-29-25;1-13-14-6-8-15(9-7-14)22(13)30-25-21-19(4-3-5-20(21)32-2)29-24(31-25)18-12-28-23-17(18)10-16(26)11-27-23;1-13-3-8-21-19(9-13)24(30-22-14(2)15-4-6-16(22)7-5-15)31-25(29-21)20-12-28-23-18(20)10-17(26)11-27-23;1-13-4-3-5-18-21(13)29-25(20-12-28-23-19(20)10-17(26)11-27-23)31-24(18)30-22-14(2)15-6-8-16(22)9-7-15/h2-9,14-18,20,26H,10-13H2,1H3,(H,32,33)(H,34,35,36);2-6,11-18,20,27H,7-10H2,1H3,(H,32,33)(H,34,35,36);2-4,11-17,23H,5-10H2,1H3,(H,29,30)(H,31,32,33);3-5,10-15,22H,6-9H2,1-2H3,(H,27,28)(H,29,30,31);3,8-12,14-16,22H,4-7H2,1-2H3,(H,27,28)(H,29,30,31);3-5,10-12,14-16,22H,6-9H2,1-2H3,(H,27,28)(H,29,30,31)
InChIKeyFVEIBNVPEFDOMJ-UHFFFAOYSA-N
MW2659.27 g/mol
LogP38.13
Rot. Bonds22

About 8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine

8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine (PubChem CID 158151594) has the molecular formula C162H162F6N30O and a molecular weight of 2659.27 g/mol. Its IUPAC name is 8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine.

Molecular Properties

Compound Name8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine
PubChem CID158151594
Molecular FormulaC162H162F6N30O
Molecular Weight2659.27 g/mol
Exact Mass2657.35
IUPAC Name8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine
SMILESCC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2c(-c3ccccc3)cccc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2c(C3CC3)cccc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2ccc(-c3ccccc3)cc12.COc1cccc2nc(-c3c[nH]c4ncc(F)cc34)nc(NC3C4CCC(CC4)C3C)c12.Cc1ccc2nc(-c3c[nH]c4ncc(F)cc34)nc(NC3C4CCC(CC4)C3C)c2c1.Cc1cccc2c(NC3C4CCC(CC4)C3C)nc(-c3c[nH]c4ncc(F)cc34)nc12
InChIInChI=1S/2C30H28FN5.C27H28FN5.C25H26FN5O.2C25H26FN5/c1-17-18-10-12-20(13-11-18)26(17)34-29-23-9-5-8-22(19-6-3-2-4-7-19)27(23)35-30(36-29)25-16-33-28-24(25)14-21(31)15-32-28;1-17-18-7-9-20(10-8-18)27(17)35-29-24-13-21(19-5-3-2-4-6-19)11-12-26(24)34-30(36-29)25-16-33-28-23(25)14-22(31)15-32-28;1-14-15-5-9-17(10-6-15)23(14)31-26-20-4-2-3-19(16-7-8-16)24(20)32-27(33-26)22-13-30-25-21(22)11-18(28)12-29-25;1-13-14-6-8-15(9-7-14)22(13)30-25-21-19(4-3-5-20(21)32-2)29-24(31-25)18-12-28-23-17(18)10-16(26)11-27-23;1-13-3-8-21-19(9-13)24(30-22-14(2)15-4-6-16(22)7-5-15)31-25(29-21)20-12-28-23-18(20)10-17(26)11-27-23;1-13-4-3-5-18-21(13)29-25(20-12-28-23-19(20)10-17(26)11-27-23)31-24(18)30-22-14(2)15-6-8-16(22)9-7-15/h2-9,14-18,20,26H,10-13H2,1H3,(H,32,33)(H,34,35,36);2-6,11-18,20,27H,7-10H2,1H3,(H,32,33)(H,34,35,36);2-4,11-17,23H,5-10H2,1H3,(H,29,30)(H,31,32,33);3-5,10-15,22H,6-9H2,1-2H3,(H,27,28)(H,29,30,31);3,8-12,14-16,22H,4-7H2,1-2H3,(H,27,28)(H,29,30,31);3-5,10-12,14-16,22H,6-9H2,1-2H3,(H,27,28)(H,29,30,31)
InChIKeyFVEIBNVPEFDOMJ-UHFFFAOYSA-N
XLogP38.13
TPSA408.17 Ų
H-Bond Donors12
H-Bond Acceptors25
Rotatable Bonds22
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002659.27
LogP ≤ 538.13
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1025

Analyze 8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine with MolForge

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Related Compounds

N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;N-[3-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(2-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 158002309
N-benzyl-6-(1H-indol-5-yl)imidazo[1,2-a]pyrazin-8-amine;6-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]imidazo[1,2-a]pyrazin-8-amine;2-[N-ethyl-4-[[6-[2-(hydroxymethyl)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]anilino]ethanol;6-(2-fluorophenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine;N-(1H-indol-5-yl)-6-phenylimidazo[1,2-a]pyrazin-8-amine
CID 158024480
2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluorophenyl)-N-[(2R,3R)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluorophenyl)-N-[(2S,3S)-3-methyl-2-bicyclo[2.2.2]octanyl]pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-6-(4-fluorophenyl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)pyrimidin-4-amine;2-(5,7-difluoro-1H-indol-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 158033314
(E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 158310720
(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 158539261
bis(6-methyl-5-[[3-[9-(oxan-2-yl)purin-6-yl]-2-pyridinyl]methyl]-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine);6-methyl-1-N-[3-(trifluoromethoxy)phenyl]isoquinoline-1,5-diamine
CID 159026080
2-[benzyl(ethyl)amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[benzyl(methyl)amino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(cyclohexylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-[(4-methoxyphenyl)methylamino]-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(2-phenylethylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile;2-(2-phenylpropan-2-ylamino)-4-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidine-5-carbonitrile
CID 159035851
(E)-4-(dimethylamino)-N-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-[4-methyl-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethoxy)phenyl]prop-2-enamide
CID 159416780
(E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 159500243
6-(2-fluoro-3-pyridinyl)-9-(oxan-2-yl)purine;6-methyl-5-[[3-[9-(oxan-2-yl)purin-6-yl]-2-pyridinyl]methyl]-N-[3-(trifluoromethoxy)phenyl]isoquinolin-1-amine;6-methyl-1-N-[3-(trifluoromethoxy)phenyl]isoquinoline-1,5-diamine
CID 159606925
(E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-(3-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]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
CID 159746752
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-[3-[3-(2-ethylpyrimidin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;N-[3-[3-(2-ethyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide)
CID 159791790

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine?
The IUPAC name of 8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine (CID 158151594) is 8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine.
What is the SMILES notation for 8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine?
The canonical SMILES for 8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine is CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2c(-c3ccccc3)cccc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2c(C3CC3)cccc12.CC1C2CCC(CC2)C1Nc1nc(-c2c[nH]c3ncc(F)cc23)nc2ccc(-c3ccccc3)cc12.COc1cccc2nc(-c3c[nH]c4ncc(F)cc34)nc(NC3C4CCC(CC4)C3C)c12.Cc1ccc2nc(-c3c[nH]c4ncc(F)cc34)nc(NC3C4CCC(CC4)C3C)c2c1.Cc1cccc2c(NC3C4CCC(CC4)C3C)nc(-c3c[nH]c4ncc(F)cc34)nc12.
What is the InChIKey of 8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine?
The InChIKey is FVEIBNVPEFDOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H28FN5.C27H28FN5.C25H26FN5O.2C25H26FN5/c1-17-18-10-12-20(13-11-18)26(17)34-29-23-9-5-8-22(19-6-3-2-4-7-19)27(23)35-30(36-29)25-16-33-28-24(25)14-21(31)15-32-28;1-17-18-7-9-20(10-8-18)27(17)35-29-24-13-21(19-5-3-2-4-6-19)11-12-26(24)34-30(36-29)25-16-33-28-23(25)14-22(31)15-32-28;1-14-15-5-9-17(10-6-15)23(14)31-26-20-4-2-3-19(16-7-8-16)24(20)32-27(33-26)22-13-30-25-21(22)11-18(28)12-29-25;1-13-14-6-8-15(9-7-14)22(13)30-25-21-19(4-3-5-20(21)32-2)29-24(31-25)18-12-28-23-17(18)10-16(26)11-27-23;1-13-3-8-21-19(9-13)24(30-22-14(2)15-4-6-16(22)7-5-15)31-25(29-21)20-12-28-23-18(20)10-17(26)11-27-23;1-13-4-3-5-18-21(13)29-25(20-12-28-23-19(20)10-17(26)11-27-23)31-24(18)30-22-14(2)15-6-8-16(22)9-7-15/h2-9,14-18,20,26H,10-13H2,1H3,(H,32,33)(H,34,35,36);2-6,11-18,20,27H,7-10H2,1H3,(H,32,33)(H,34,35,36);2-4,11-17,23H,5-10H2,1H3,(H,29,30)(H,31,32,33);3-5,10-15,22H,6-9H2,1-2H3,(H,27,28)(H,29,30,31);3,8-12,14-16,22H,4-7H2,1-2H3,(H,27,28)(H,29,30,31);3-5,10-12,14-16,22H,6-9H2,1-2H3,(H,27,28)(H,29,30,31).
What are the key properties of 8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine?
8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine has a molecular weight of 2659.27 g/mol, XLogP of 38.13, 22 rotatable bonds, 12 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-methoxy-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-6-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(3-methyl-2-bicyclo[2.2.2]octanyl)-8-phenylquinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine;2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-8-methyl-N-(3-methyl-2-bicyclo[2.2.2]octanyl)quinazolin-4-amine is sourced from PubChem (CID 158151594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).