2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol

C203H267F5N40O10 — CID 162133366

IUPAC2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
SMILESCCCN(C)c1ccc2nc(C3CC3)nc(N3CCN(C4CCCC4O)CC3)c2c1.CN(CCN1CCOCC1)c1ccc2nc(C3CC3)nc(N3CCN(C4CCCC4O)CC3)c2c1.CN(CCO)c1ccc2nc(C3(F)CC3)nc(N3CCC(C4CCCCC4)CC3)c2c1.CN(CCO)c1ccc2nc(C3CC3)nc(N3CCN(C4CCCC4O)CC3)c2c1.Cc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3cnc(N(C)CCO)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3cnc(N4CC[C@H](O)C4)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3cnc(N(C)CCO)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3cnc(N4CC[C@H](O)C4)cc23)CC1
InChIInChI=1S/C27H32FN5O.C27H40N6O2.C26H30FN5O.C26H32FN5O.C25H30FN5O.C25H35FN4O.C24H35N5O.C23H33N5O2/c1-18-5-2-3-6-21(18)19-7-12-32(13-8-19)25-22-15-24(33-14-9-20(34)17-33)29-16-23(22)30-26(31-25)27(28)10-4-11-27;1-30(9-10-31-15-17-35-18-16-31)21-7-8-23-22(19-21)27(29-26(28-23)20-5-6-20)33-13-11-32(12-14-33)24-3-2-4-25(24)34;1-17-4-2-3-5-20(17)18-6-11-31(12-7-18)24-21-14-23(32-13-8-19(33)16-32)28-15-22(21)29-25(30-24)26(27)9-10-26;1-18-6-3-4-7-20(18)19-8-12-32(13-9-19)24-21-16-23(31(2)14-15-33)28-17-22(21)29-25(30-24)26(27)10-5-11-26;1-17-5-3-4-6-19(17)18-7-11-31(12-8-18)23-20-15-22(30(2)13-14-32)27-16-21(20)28-24(29-23)25(26)9-10-25;1-29(15-16-31)20-7-8-22-21(17-20)23(28-24(27-22)25(26)11-12-25)30-13-9-19(10-14-30)18-5-3-2-4-6-18;1-3-11-27(2)18-9-10-20-19(16-18)24(26-23(25-20)17-7-8-17)29-14-12-28(13-15-29)21-5-4-6-22(21)30;1-26(13-14-29)17-7-8-19-18(15-17)23(25-22(24-19)16-5-6-16)28-11-9-27(10-12-28)20-3-2-4-21(20)30/h2-3,5-6,15-16,19-20,34H,4,7-14,17H2,1H3;7-8,19-20,24-25,34H,2-6,9-18H2,1H3;2-5,14-15,18-19,33H,6-13,16H2,1H3;3-4,6-7,16-17,19,33H,5,8-15H2,1-2H3;3-6,15-16,18,32H,7-14H2,1-2H3;7-8,17-19,31H,2-6,9-16H2,1H3;9-10,16-17,21-22,30H,3-8,11-15H2,1-2H3;7-8,15-16,20-21,29-30H,2-6,9-14H2,1H3/t20-;;19-;;;;;/m0.0...../s1
InChIKeyZIYJZAWWHLFJQZ-AEQQSLJISA-N
MW3522.63 g/mol
LogP29.97
Rot. Bonds45

About 2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol

2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol (PubChem CID 162133366) has the molecular formula C203H267F5N40O10 and a molecular weight of 3522.63 g/mol. Its IUPAC name is 2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
PubChem CID162133366
Molecular FormulaC203H267F5N40O10
Molecular Weight3522.63 g/mol
Exact Mass3520.15
IUPAC Name2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
SMILESCCCN(C)c1ccc2nc(C3CC3)nc(N3CCN(C4CCCC4O)CC3)c2c1.CN(CCN1CCOCC1)c1ccc2nc(C3CC3)nc(N3CCN(C4CCCC4O)CC3)c2c1.CN(CCO)c1ccc2nc(C3(F)CC3)nc(N3CCC(C4CCCCC4)CC3)c2c1.CN(CCO)c1ccc2nc(C3CC3)nc(N3CCN(C4CCCC4O)CC3)c2c1.Cc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3cnc(N(C)CCO)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3cnc(N4CC[C@H](O)C4)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3cnc(N(C)CCO)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3cnc(N4CC[C@H](O)C4)cc23)CC1
InChIInChI=1S/C27H32FN5O.C27H40N6O2.C26H30FN5O.C26H32FN5O.C25H30FN5O.C25H35FN4O.C24H35N5O.C23H33N5O2/c1-18-5-2-3-6-21(18)19-7-12-32(13-8-19)25-22-15-24(33-14-9-20(34)17-33)29-16-23(22)30-26(31-25)27(28)10-4-11-27;1-30(9-10-31-15-17-35-18-16-31)21-7-8-23-22(19-21)27(29-26(28-23)20-5-6-20)33-13-11-32(12-14-33)24-3-2-4-25(24)34;1-17-4-2-3-5-20(17)18-6-11-31(12-7-18)24-21-14-23(32-13-8-19(33)16-32)28-15-22(21)29-25(30-24)26(27)9-10-26;1-18-6-3-4-7-20(18)19-8-12-32(13-9-19)24-21-16-23(31(2)14-15-33)28-17-22(21)29-25(30-24)26(27)10-5-11-26;1-17-5-3-4-6-19(17)18-7-11-31(12-8-18)23-20-15-22(30(2)13-14-32)27-16-21(20)28-24(29-23)25(26)9-10-25;1-29(15-16-31)20-7-8-22-21(17-20)23(28-24(27-22)25(26)11-12-25)30-13-9-19(10-14-30)18-5-3-2-4-6-18;1-3-11-27(2)18-9-10-20-19(16-18)24(26-23(25-20)17-7-8-17)29-14-12-28(13-15-29)21-5-4-6-22(21)30;1-26(13-14-29)17-7-8-19-18(15-17)23(25-22(24-19)16-5-6-16)28-11-9-27(10-12-28)20-3-2-4-21(20)30/h2-3,5-6,15-16,19-20,34H,4,7-14,17H2,1H3;7-8,19-20,24-25,34H,2-6,9-18H2,1H3;2-5,14-15,18-19,33H,6-13,16H2,1H3;3-4,6-7,16-17,19,33H,5,8-15H2,1-2H3;3-6,15-16,18,32H,7-14H2,1-2H3;7-8,17-19,31H,2-6,9-16H2,1H3;9-10,16-17,21-22,30H,3-8,11-15H2,1-2H3;7-8,15-16,20-21,29-30H,2-6,9-14H2,1H3/t20-;;19-;;;;;/m0.0...../s1
InChIKeyZIYJZAWWHLFJQZ-AEQQSLJISA-N
XLogP29.97
TPSA513.90 Ų
H-Bond Donors9
H-Bond Acceptors50
Rotatable Bonds45
Heavy Atoms258
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003522.63
LogP ≤ 529.97
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1050

Analyze 2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol with MolForge

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Related Compounds

2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol
CID 130352366
2-cyclopentyl-4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)-N-methyl-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-fluorocyclopentyl)quinazolin-6-yl]-methylamino]ethanol;2-[[2-(1-fluorocyclopentyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 159033519
(3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
CID 130352376
2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(3-methoxy-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
CID 159602989
ethane;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine
CID 144986109
2-[[4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-2-(1-methylcyclopentyl)quinazolin-6-yl]-methylamino]ethanol;4-[4-[2-(dimethylamino)phenyl]piperidin-1-yl]-N-methyl-2-(1-methylcyclopentyl)-N-(2-morpholin-4-ylethyl)quinazolin-6-amine;4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-(2-morpholin-4-ylethyl)-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-amine;2-[[4-[4-(2-methoxyphenyl)piperidin-1-yl]-2-[1-(trifluoromethyl)cyclopentyl]quinazolin-6-yl]-methylamino]ethanol
CID 157236988
(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(3-methyl-2-pyridinyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
CID 130352391
2-[[4-[4-[2-(azetidin-1-yl)phenyl]piperidin-1-yl]-2-cyclopropylquinazolin-6-yl]-methylamino]ethanol
CID 118610326
2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methoxy-3-pyridinyl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118617648
2-cyclopentyl-4-[4-(2-methoxyphenyl)piperidin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118617719
2-cyclopropyl-4-[4-(2-methoxycyclopentyl)piperazin-1-yl]-N-methyl-N-propylquinazolin-6-amine
CID 118610329
2-[[2-(1-fluorocyclobutyl)-4-[4-(3-methoxypyrazin-2-yl)piperidin-1-yl]quinazolin-6-yl]-methylamino]ethanol
CID 118610354

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol?
The IUPAC name of 2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol (CID 162133366) is 2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol.
What is the SMILES notation for 2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol?
The canonical SMILES for 2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol is CCCN(C)c1ccc2nc(C3CC3)nc(N3CCN(C4CCCC4O)CC3)c2c1.CN(CCN1CCOCC1)c1ccc2nc(C3CC3)nc(N3CCN(C4CCCC4O)CC3)c2c1.CN(CCO)c1ccc2nc(C3(F)CC3)nc(N3CCC(C4CCCCC4)CC3)c2c1.CN(CCO)c1ccc2nc(C3CC3)nc(N3CCN(C4CCCC4O)CC3)c2c1.Cc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3cnc(N(C)CCO)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3(F)CC3)nc3cnc(N4CC[C@H](O)C4)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3cnc(N(C)CCO)cc23)CC1.Cc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3cnc(N4CC[C@H](O)C4)cc23)CC1.
What is the InChIKey of 2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol?
The InChIKey is ZIYJZAWWHLFJQZ-AEQQSLJISA-N. The full InChI is InChI=1S/C27H32FN5O.C27H40N6O2.C26H30FN5O.C26H32FN5O.C25H30FN5O.C25H35FN4O.C24H35N5O.C23H33N5O2/c1-18-5-2-3-6-21(18)19-7-12-32(13-8-19)25-22-15-24(33-14-9-20(34)17-33)29-16-23(22)30-26(31-25)27(28)10-4-11-27;1-30(9-10-31-15-17-35-18-16-31)21-7-8-23-22(19-21)27(29-26(28-23)20-5-6-20)33-13-11-32(12-14-33)24-3-2-4-25(24)34;1-17-4-2-3-5-20(17)18-6-11-31(12-7-18)24-21-14-23(32-13-8-19(33)16-32)28-15-22(21)29-25(30-24)26(27)9-10-26;1-18-6-3-4-7-20(18)19-8-12-32(13-9-19)24-21-16-23(31(2)14-15-33)28-17-22(21)29-25(30-24)26(27)10-5-11-26;1-17-5-3-4-6-19(17)18-7-11-31(12-8-18)23-20-15-22(30(2)13-14-32)27-16-21(20)28-24(29-23)25(26)9-10-25;1-29(15-16-31)20-7-8-22-21(17-20)23(28-24(27-22)25(26)11-12-25)30-13-9-19(10-14-30)18-5-3-2-4-6-18;1-3-11-27(2)18-9-10-20-19(16-18)24(26-23(25-20)17-7-8-17)29-14-12-28(13-15-29)21-5-4-6-22(21)30;1-26(13-14-29)17-7-8-19-18(15-17)23(25-22(24-19)16-5-6-16)28-11-9-27(10-12-28)20-3-2-4-21(20)30/h2-3,5-6,15-16,19-20,34H,4,7-14,17H2,1H3;7-8,19-20,24-25,34H,2-6,9-18H2,1H3;2-5,14-15,18-19,33H,6-13,16H2,1H3;3-4,6-7,16-17,19,33H,5,8-15H2,1-2H3;3-6,15-16,18,32H,7-14H2,1-2H3;7-8,17-19,31H,2-6,9-16H2,1H3;9-10,16-17,21-22,30H,3-8,11-15H2,1-2H3;7-8,15-16,20-21,29-30H,2-6,9-14H2,1H3/t20-;;19-;;;;;/m0.0...../s1.
What are the key properties of 2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol?
2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol has a molecular weight of 3522.63 g/mol, XLogP of 29.97, 45 rotatable bonds, 9 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-cyclohexylpiperidin-1-yl)-2-(1-fluorocyclopropyl)quinazolin-6-yl]-methylamino]ethanol;2-[4-[2-cyclopropyl-6-[2-hydroxyethyl(methyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(2-morpholin-4-ylethyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[4-[2-cyclopropyl-6-[methyl(propyl)amino]quinazolin-4-yl]piperazin-1-yl]cyclopentan-1-ol;2-[[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol;2-[[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]-methylamino]ethanol;(3S)-1-[2-(1-fluorocyclopropyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol is sourced from PubChem (CID 162133366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).