2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine

C93H103N23O3 — CID 159312462

IUPAC2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine
SMILESCC(C)n1cc(-c2ccc(-c3c4c(cn3C)CCc3cnc(Cc5cnn(CCN6CCOCC6)c5)nc3-4)cc2)cn1.Cn1cc(-c2ccc(-c3c4c(cn3C)CCc3cnc(Cc5ccn(CC(C)(C)O)n5)nc3-4)cc2)cn1.Cn1cc(-c2ccc(-c3c4c(cn3C)CCc3cnc(Cc5cnn(CCN6CCOCC6)c5)nc3-4)cc2)cn1
InChIInChI=1S/C33H38N8O.C31H34N8O.C29H31N7O/c1-23(2)41-22-29(19-36-41)25-4-6-26(7-5-25)33-31-28(21-38(33)3)9-8-27-18-34-30(37-32(27)31)16-24-17-35-40(20-24)11-10-39-12-14-42-15-13-39;1-36-20-26-8-7-25-17-32-28(15-22-16-34-39(19-22)10-9-38-11-13-40-14-12-38)35-30(25)29(26)31(36)24-5-3-23(4-6-24)27-18-33-37(2)21-27;1-29(2,37)18-36-12-11-24(33-36)13-25-30-14-21-9-10-22-16-34(3)28(26(22)27(21)32-25)20-7-5-19(6-8-20)23-15-31-35(4)17-23/h4-7,17-23H,8-16H2,1-3H3;3-6,16-21H,7-15H2,1-2H3;5-8,11-12,14-17,37H,9-10,13,18H2,1-4H3
InChIKeyLCSJWPRSVQPGET-UHFFFAOYSA-N
MW1591.00 g/mol
LogP12.79
Rot. Bonds21

About 2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine

2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 159312462) has the molecular formula C93H103N23O3 and a molecular weight of 1591.00 g/mol. Its IUPAC name is 2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine
PubChem CID159312462
Molecular FormulaC93H103N23O3
Molecular Weight1591.00 g/mol
Exact Mass1589.86
IUPAC Name2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine
SMILESCC(C)n1cc(-c2ccc(-c3c4c(cn3C)CCc3cnc(Cc5cnn(CCN6CCOCC6)c5)nc3-4)cc2)cn1.Cn1cc(-c2ccc(-c3c4c(cn3C)CCc3cnc(Cc5ccn(CC(C)(C)O)n5)nc3-4)cc2)cn1.Cn1cc(-c2ccc(-c3c4c(cn3C)CCc3cnc(Cc5cnn(CCN6CCOCC6)c5)nc3-4)cc2)cn1
InChIInChI=1S/C33H38N8O.C31H34N8O.C29H31N7O/c1-23(2)41-22-29(19-36-41)25-4-6-26(7-5-25)33-31-28(21-38(33)3)9-8-27-18-34-30(37-32(27)31)16-24-17-35-40(20-24)11-10-39-12-14-42-15-13-39;1-36-20-26-8-7-25-17-32-28(15-22-16-34-39(19-22)10-9-38-11-13-40-14-12-38)35-30(25)29(26)31(36)24-5-3-23(4-6-24)27-18-33-37(2)21-27;1-29(2,37)18-36-12-11-24(33-36)13-25-30-14-21-9-10-22-16-34(3)28(26(22)27(21)32-25)20-7-5-19(6-8-20)23-15-31-35(4)17-23/h4-7,17-23H,8-16H2,1-3H3;3-6,16-21H,7-15H2,1-2H3;5-8,11-12,14-17,37H,9-10,13,18H2,1-4H3
InChIKeyLCSJWPRSVQPGET-UHFFFAOYSA-N
XLogP12.79
TPSA244.22 Ų
H-Bond Donors1
H-Bond Acceptors26
Rotatable Bonds21
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.00
LogP ≤ 512.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1026

Analyze 2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[[8-[4-[[4-Fluoro-3-[2-[[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]amino]-8-[4-(morpholin-4-ylmethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-1-yl]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]-2-methylpropan-2-ol
CID 90877281
1-[6-[[1-[5-[[7-[4-(4-chloro-1-methylimidazol-2-yl)phenyl]-1-(2-propan-2-yl-3-pyridinyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-7-[4-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-3-yl]methyl]-2-propan-2-yl-3-pyridinyl]-3,5-dimethyl-7-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
CID 154970495
9-[[4-[4-(Azetidin-1-yl)-1-methylimidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;bis(9-[[4-(3,5-dimethylpyrazol-1-yl)cyclohexyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one);methane;7-methyl-9-[[4-[1-(oxetan-3-yl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)purin-8-one
CID 157096663
7-[2-(Dimethylamino)ethyl]-2-(2-propan-2-ylphenyl)-9-[(4-pyrazol-1-ylphenyl)methyl]purin-8-one;9-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-ylphenyl)purin-8-one;methane;7-methyl-9-[1-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]cyclopropyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 157334695
3-[2-[(3R,5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R,5R)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(5S)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(5R)-3-(1,3-dimethylpyrazol-4-yl)-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine;3-[2-[(3R,5R)-3-[1-(2-methoxyethyl)pyrazol-4-yl]-5-methylpiperidin-1-yl]pyrimidin-4-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 158873545
3-[6-(3,3-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;6-[6-[5-fluoro-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;3-[6-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;7-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;[(3S)-1-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 160010204
8-Tert-butyl-3-(3,3-difluoropyrrolidin-1-yl)isoquinoline;4-(8-tert-butylisoquinolin-3-yl)morpholine;1-(8-tert-butylisoquinolin-3-yl)pyrrolidine-3-carbonitrile;4-tert-butyl-2-methylindazole;8-tert-butyl-3-(4-methylpiperazin-1-yl)isoquinoline;8-tert-butyl-3-piperidin-1-ylisoquinoline;8-tert-butyl-3-pyrrolidin-1-ylisoquinoline;4-tert-butylquinoline
CID 160803817
2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole
CID 160964279
4-(4-tert-butylphenyl)-1-[3-fluoro-5-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-6-id-1-yl]-3-N,3-N-dimethyl-5-N,5-N-diphenylpyrazole-3,5-diamine;N,N-dimethyl-5-(4-methylpiperazin-1-yl)-1-[3-[[9-(4-methyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]-4-phenylpyrazol-3-amine;2-[3-[3-(4H-imidazol-4-yl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-phenyl-5-pyrimidin-4-yl-3-(1,3,5-triazin-2-yl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+))
CID 161909215
2,6-bis[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyridine;2-[[3,5-bis(trifluoromethyl)pyrazol-1-yl]methyl]-6-[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;N-cyclohexyl-1-[6-(N-cyclohexyl-C-methylcarbonimidoyl)-2-pyridinyl]ethanimine;1-[2-[2-(3,5-dimethylpyrazol-1-yl)ethoxy]ethyl]-3,5-dimethylpyrazole;1-[6-[C-methyl-N-(2-methylphenyl)carbonimidoyl]-2-pyridinyl]-N-(2-methylphenyl)ethanimine;1-[6-(C-methyl-N-phenylcarbonimidoyl)-2-pyridinyl]-N-phenylethanimine;N-phenyl-1-[6-(phenyliminomethyl)-2-pyridinyl]methanimine;N-propan-2-yl-1-[6-(propan-2-yliminomethyl)-2-pyridinyl]methanimine;1-[2-(2-pyrazol-1-ylethoxy)ethyl]pyrazole
CID 162015163
2-[[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]methyl]-8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]-8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[[methyl(2-pyrrolidin-1-ylethyl)amino]methyl]-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[(2-morpholin-4-ylethylamino)methyl]-8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;8-propan-2-yl-7-[(2-pyrazol-1-ylphenyl)methyl]-2-[(2-pyrrolidin-1-ylethylamino)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 173668939
4-[11-phenyl-12-[4-[[4-(2-pyridin-2-yl-4H-imidazol-5-yl)piperidin-1-yl]methyl]phenyl]-2,3,5,7,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaen-4-yl]morpholine
CID 58034532

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine (CID 159312462) is 2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine is CC(C)n1cc(-c2ccc(-c3c4c(cn3C)CCc3cnc(Cc5cnn(CCN6CCOCC6)c5)nc3-4)cc2)cn1.Cn1cc(-c2ccc(-c3c4c(cn3C)CCc3cnc(Cc5ccn(CC(C)(C)O)n5)nc3-4)cc2)cn1.Cn1cc(-c2ccc(-c3c4c(cn3C)CCc3cnc(Cc5cnn(CCN6CCOCC6)c5)nc3-4)cc2)cn1.
What is the InChIKey of 2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is LCSJWPRSVQPGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N8O.C31H34N8O.C29H31N7O/c1-23(2)41-22-29(19-36-41)25-4-6-26(7-5-25)33-31-28(21-38(33)3)9-8-27-18-34-30(37-32(27)31)16-24-17-35-40(20-24)11-10-39-12-14-42-15-13-39;1-36-20-26-8-7-25-17-32-28(15-22-16-34-39(19-22)10-9-38-11-13-40-14-12-38)35-30(25)29(26)31(36)24-5-3-23(4-6-24)27-18-33-37(2)21-27;1-29(2,37)18-36-12-11-24(33-36)13-25-30-14-21-9-10-22-16-34(3)28(26(22)27(21)32-25)20-7-5-19(6-8-20)23-15-31-35(4)17-23/h4-7,17-23H,8-16H2,1-3H3;3-6,16-21H,7-15H2,1-2H3;5-8,11-12,14-17,37H,9-10,13,18H2,1-4H3.
What are the key properties of 2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine?
2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 1591.00 g/mol, XLogP of 12.79, 21 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]propan-2-ol;4-[2-[4-[[8-methyl-9-[4-(1-methylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine;4-[2-[4-[[8-methyl-9-[4-(1-propan-2-ylpyrazol-4-yl)phenyl]-5,6-dihydropyrrolo[3,4-h]quinazolin-2-yl]methyl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 159312462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).