3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

C139H151F2N21O16 — CID 160567442

IUPAC3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1.CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1.CO[C@@H](C(=O)N1CC2=C(C1)C(NC(=O)c1ccc(N3CCN(C)CC3)cc1)=NC2)c1ccccc1.COc1cc2c(Nc3ccc(CC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1.O=C(NCCN1CCOCC1)c1cc2c(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4)cc3)ccnc2[nH]1
InChIInChI=1S/C33H33FN4O5.C30H32N4O4.C27H31N5O3.C26H30FN7O3.C23H25NO/c34-24-5-1-22(2-6-24)19-29(39)33(10-11-33)30(40)20-23-3-7-25(8-4-23)43-28-9-12-35-31-26(28)21-27(37-31)32(41)36-13-14-38-15-17-42-18-16-38;1-36-28-19-25-26(20-29(28)38-15-5-12-34-13-16-37-17-14-34)31-21-32-30(25)33-24-10-8-22(9-11-24)18-27(35)23-6-3-2-4-7-23;1-30-12-14-31(15-13-30)22-10-8-20(9-11-22)26(33)29-25-23-18-32(17-21(23)16-28-25)27(34)24(35-2)19-6-4-3-5-7-19;1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19;1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h1-9,12,21H,10-11,13-20H2,(H,35,37)(H,36,41);2-4,6-11,19-21H,5,12-18H2,1H3,(H,31,32,33);3-11,24H,12-18H2,1-2H3,(H,28,29,33);3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33);3-13,16,18H,14-15,17H2,1-2H3/t;;24-;;/m..1../s1
InChIKeyRACMATFXHDMOQA-VIBBVYOBSA-N
MW2409.86 g/mol
LogP20.10
Rot. Bonds48

About 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide

3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 160567442) has the molecular formula C139H151F2N21O16 and a molecular weight of 2409.86 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID160567442
Molecular FormulaC139H151F2N21O16
Molecular Weight2409.86 g/mol
Exact Mass2408.16
IUPAC Name3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
SMILESCC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1.CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1.CO[C@@H](C(=O)N1CC2=C(C1)C(NC(=O)c1ccc(N3CCN(C)CC3)cc1)=NC2)c1ccccc1.COc1cc2c(Nc3ccc(CC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1.O=C(NCCN1CCOCC1)c1cc2c(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4)cc3)ccnc2[nH]1
InChIInChI=1S/C33H33FN4O5.C30H32N4O4.C27H31N5O3.C26H30FN7O3.C23H25NO/c34-24-5-1-22(2-6-24)19-29(39)33(10-11-33)30(40)20-23-3-7-25(8-4-23)43-28-9-12-35-31-26(28)21-27(37-31)32(41)36-13-14-38-15-17-42-18-16-38;1-36-28-19-25-26(20-29(28)38-15-5-12-34-13-16-37-17-14-34)31-21-32-30(25)33-24-10-8-22(9-11-24)18-27(35)23-6-3-2-4-7-23;1-30-12-14-31(15-13-30)22-10-8-20(9-11-22)26(33)29-25-23-18-32(17-21(23)16-28-25)27(34)24(35-2)19-6-4-3-5-7-19;1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19;1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h1-9,12,21H,10-11,13-20H2,(H,35,37)(H,36,41);2-4,6-11,19-21H,5,12-18H2,1H3,(H,31,32,33);3-11,24H,12-18H2,1-2H3,(H,28,29,33);3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33);3-13,16,18H,14-15,17H2,1-2H3/t;;24-;;/m..1../s1
InChIKeyRACMATFXHDMOQA-VIBBVYOBSA-N
XLogP20.10
TPSA425.51 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds48
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002409.86
LogP ≤ 520.10
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide with MolForge

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Related Compounds

7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;N-tert-butylpyridin-2-amine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanamide;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;3,3-dimethyl-1-quinolin-7-ylbutan-2-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol
CID 157947414
1-cyclopropyl-5,5-dimethylhexan-2-one;(E)-1-cyclopropyl-5,5-dimethylhex-3-en-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-5,5-dimethylhexan-2-one;5,5-dimethylhexan-1-ol;2-(5,5-dimethylhexoxymethyl)pyridine;N-(5,5-dimethylhexyl)pyridin-2-amine;4,4-dimethyl-1-morpholin-4-ylpentan-1-one;4,4-dimethylpentanoic acid;4,4-dimethylpentan-1-ol;7-(2,2-dimethylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one;(E)-4,4-dimethyl-1-pyrrolidin-1-ylpent-2-en-1-one;ethyl 4,4-dimethylpentanoate;1-(1H-indazol-5-yl)-5,5-dimethylhexan-2-one;1-(3H-isoindol-5-yl)-5,5-dimethylhexan-2-one;2,5,5-trimethylhex-3-yn-2-ol
CID 158305847
1-cyclopropyl-5,5-dimethylhexan-2-one;(E)-1-cyclopropyl-5,5-dimethylhex-3-en-2-one;1-(6,7-dimethoxyquinazolin-4-yl)pentan-2-one;5,5-dimethylhexan-1-ol;2-(5,5-dimethylhexoxymethyl)pyridine;N-(5,5-dimethylhexyl)pyridin-2-amine;4,4-dimethyl-1-morpholin-4-ylpentan-1-one;4,4-dimethylpentanoic acid;4,4-dimethylpentan-1-ol;7-(2,2-dimethylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one;(E)-4,4-dimethyl-1-pyrrolidin-1-ylpent-2-en-1-one;ethyl 4,4-dimethylpentanoate;1-(1H-indazol-5-yl)-5,5-dimethylhexan-2-one;1-(3H-isoindol-5-yl)-5,5-dimethylhexan-2-one;2-methoxy-2,5,5-trimethylhex-3-yne;2,2,5,5-tetramethylhex-3-yne;1,1,1-trideuterio-2,5,5-trimethylhex-3-yn-2-ol;2,5,5-trimethylhex-1-en-3-yne;2,5,5-trimethylhex-3-yn-2-ol
CID 158344914
N-[3-[(4-amino-6,7-dimethoxyquinazolin-2-yl)-methylamino]propyl]oxolane-2-carboxamide;N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzamide;1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-naphthalen-1-yloxypropan-2-ol;3-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 158647575
3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;1-[4-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)phenyl]-3-[4-(4-methylpiperidine-1-carbonyl)phenyl]urea;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 158788721
1-cyclopropyl-5,5-dimethylhexan-2-one;(E)-1-cyclopropyl-5,5-dimethylhex-3-en-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-5,5-dimethylhexan-2-one;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)pyridin-2-amine;4,4-dimethyl-1-morpholin-4-ylpentan-1-one;4,4-dimethylpentan-1-ol;7-(2,2-dimethylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one;(E)-4,4-dimethyl-1-pyrrolidin-1-ylpent-2-en-1-one;ethyl 4,4-dimethylpentanoate;1-(1H-indazol-5-yl)-5,5-dimethylhexan-2-one;1-(3H-isoindol-5-yl)-5,5-dimethylhexan-2-one;2,5,5-trimethylhex-3-yn-2-ol
CID 159525192
(E)-1-cyclopropyl-5,5-dimethylhex-3-en-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-5,5-dimethylhexan-2-one;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)pyridin-2-amine;4,4-dimethyl-1-morpholin-4-ylpentan-1-one;4,4-dimethylpentan-1-ol;7-(2,2-dimethylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one;1-(1H-indazol-5-yl)-5,5-dimethylhexan-2-one;1-(3H-isoindol-5-yl)-5,5-dimethylhexan-2-one
CID 159654103
1-cyclopropyl-5,5-dimethylhexan-2-one;(E)-1-cyclopropyl-5,5-dimethylhex-3-en-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-5,5-dimethylhexan-2-one;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)pyridin-2-amine;4,4-dimethyl-1-morpholin-4-ylpentan-1-one;4,4-dimethylpentanoic acid;4,4-dimethylpentan-1-ol;7-(2,2-dimethylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one;(E)-4,4-dimethyl-1-pyrrolidin-1-ylpent-2-en-1-one;ethyl 4,4-dimethylpentanoate;1-(1H-indazol-5-yl)-5,5-dimethylhexan-2-one;1-(3H-isoindol-5-yl)-5,5-dimethylhexan-2-one;2,5,5-trimethylhex-3-yn-2-ol
CID 159884968
1-cyclopropyl-5,5-dimethylhexan-2-one;(E)-1-cyclopropyl-5,5-dimethylhex-3-en-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-5,5-dimethylhexan-2-one;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)pyridin-2-amine;4,4-dimethyl-1-morpholin-4-ylpentan-1-one;4,4-dimethylpentanoic acid;4,4-dimethylpentan-1-ol;7-(2,2-dimethylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one;(E)-4,4-dimethyl-1-pyrrolidin-1-ylpent-2-en-1-one;ethyl 4,4-dimethylpentanoate;1-(1H-indazol-5-yl)-5,5-dimethylhexan-2-one;1-(3H-isoindol-5-yl)-5,5-dimethylhexan-2-one
CID 160441384
(E)-1-cyclopropyl-5,5-dimethylhex-3-en-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-5,5-dimethylhexan-2-one;5,5-dimethylhexan-1-ol;N-(5,5-dimethylhexyl)pyridin-2-amine;4,4-dimethyl-1-morpholin-4-ylpentan-1-one;4,4-dimethylpentan-1-ol;7-(2,2-dimethylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine;4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one;1-(1H-indazol-5-yl)-5,5-dimethylhexan-2-one;1-(3H-isoindol-5-yl)-5,5-dimethylhexan-2-one
CID 160730521
1-cyclopropyl-5,5-dimethylhexan-2-one;(E)-1-cyclopropyl-5,5-dimethylhex-3-en-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-5,5-dimethylhexan-2-one;5,5-dimethylhexan-1-ol;2-(5,5-dimethylhexoxymethyl)pyridine;N-(5,5-dimethylhexyl)pyridin-2-amine;4,4-dimethyl-1-morpholin-4-ylpentan-1-one;4,4-dimethylpentanoic acid;4,4-dimethylpentan-1-ol;7-(2,2-dimethylpropyl)-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;4,4-dimethyl-1-pyrrolidin-1-ylpentan-1-one;(E)-4,4-dimethyl-1-pyrrolidin-1-ylpent-2-en-1-one;ethyl 4,4-dimethylpentanoate;1-(1H-indazol-5-yl)-5,5-dimethylhexan-2-one;1-(3H-isoindol-5-yl)-5,5-dimethylhexan-2-one;2,2,5,5-tetramethylhex-3-yne;2,5,5-trimethylhex-1-en-3-yne;2,5,5-trimethylhex-3-yn-2-ol
CID 160863647
N-tert-butylaniline;7-tert-butyl-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;1-tert-butyl-4-pyridin-4-ylpiperazine;1-cyclopropyl-3,3-dimethylbutan-2-one;1-(6,7-dimethoxyquinazolin-4-yl)-3,3-dimethylbutan-2-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;2,2-dimethylpropanoic acid;2,2-dimethyl-1-pyrrolidin-1-ylpropan-1-one;ethyl 2,2-dimethylpropanoate;1-(1H-indazol-5-yl)-3,3-dimethylbutan-2-one;1-(3H-isoindol-5-yl)-3,3-dimethylbutan-2-one;2-methylpropan-2-ol;2-[(2-methylpropan-2-yl)oxymethyl]pyridine;2,3,3-trimethylbutan-2-ol
CID 160961752

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide (CID 160567442) is 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is CC(C)N(CCC(=O)c1ccc2ccccc2c1)Cc1ccccc1.CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1.CO[C@@H](C(=O)N1CC2=C(C1)C(NC(=O)c1ccc(N3CCN(C)CC3)cc1)=NC2)c1ccccc1.COc1cc2c(Nc3ccc(CC(=O)c4ccccc4)cc3)ncnc2cc1OCCCN1CCOCC1.O=C(NCCN1CCOCC1)c1cc2c(Oc3ccc(CC(=O)C4(C(=O)Cc5ccc(F)cc5)CC4)cc3)ccnc2[nH]1.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is RACMATFXHDMOQA-VIBBVYOBSA-N. The full InChI is InChI=1S/C33H33FN4O5.C30H32N4O4.C27H31N5O3.C26H30FN7O3.C23H25NO/c34-24-5-1-22(2-6-24)19-29(39)33(10-11-33)30(40)20-23-3-7-25(8-4-23)43-28-9-12-35-31-26(28)21-27(37-31)32(41)36-13-14-38-15-17-42-18-16-38;1-36-28-19-25-26(20-29(28)38-15-5-12-34-13-16-37-17-14-34)31-21-32-30(25)33-24-10-8-22(9-11-24)18-27(35)23-6-3-2-4-7-23;1-30-12-14-31(15-13-30)22-10-8-20(9-11-22)26(33)29-25-23-18-32(17-21(23)16-28-25)27(34)24(35-2)19-6-4-3-5-7-19;1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19;1-18(2)24(17-19-8-4-3-5-9-19)15-14-23(25)22-13-12-20-10-6-7-11-21(20)16-22/h1-9,12,21H,10-11,13-20H2,(H,35,37)(H,36,41);2-4,6-11,19-21H,5,12-18H2,1H3,(H,31,32,33);3-11,24H,12-18H2,1-2H3,(H,28,29,33);3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33);3-13,16,18H,14-15,17H2,1-2H3/t;;24-;;/m..1../s1.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide?
3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 2409.86 g/mol, XLogP of 20.10, 48 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-1-naphthalen-2-ylpropan-1-one;2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide;4-[4-[2-[1-[2-(4-fluorophenyl)acetyl]cyclopropyl]-2-oxoethyl]phenoxy]-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-2-carboxamide;2-[4-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenyl]-1-phenylethanone;N-[5-[(2R)-2-methoxy-2-phenylacetyl]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 160567442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).