1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine

C100H106N20O7 — CID 157103291

IUPAC1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1c[nH]c2cc(OC3CCOC3)ccc12.COCC(C)(c1ccc(-c2cnc(N)nc2)cc1)c1cn(CC(=O)O)c2ncccc12.COCCCC(=O)c1cccc2c(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)c[nH]c12.Cc1ccc(-c2cc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)[nH]n2)cn1
InChIInChI=1S/C27H30N4O2.C27H28N4O2.C23H25N7.C23H23N5O3/c1-17(2)27(3,20-6-4-18(5-7-20)19-13-30-26(28)31-14-19)24-15-29-25-12-21(8-9-23(24)25)33-22-10-11-32-16-22;1-33-14-3-7-24(32)22-6-2-5-21-23(17-29-25(21)22)27(12-4-13-27)20-10-8-18(9-11-20)19-15-30-26(28)31-16-19;1-14(2)23(4,21-9-20(29-30-21)16-6-5-15(3)25-10-16)18-7-8-19(26-13-18)17-11-27-22(24)28-12-17;1-23(14-31-2,17-7-5-15(6-8-17)16-10-26-22(24)27-11-16)19-12-28(13-20(29)30)21-18(19)4-3-9-25-21/h4-9,12-15,17,22,29H,10-11,16H2,1-3H3,(H2,28,30,31);2,5-6,8-11,15-17,29H,3-4,7,12-14H2,1H3,(H2,28,30,31);5-14H,1-4H3,(H,29,30)(H2,24,27,28);3-12H,13-14H2,1-2H3,(H,29,30)(H2,24,26,27)
InChIKeyAFZZWCNAIMBCTP-UHFFFAOYSA-N
MW1700.08 g/mol
LogP17.91
Rot. Bonds26

About 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine

1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine (PubChem CID 157103291) has the molecular formula C100H106N20O7 and a molecular weight of 1700.08 g/mol. Its IUPAC name is 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
PubChem CID157103291
Molecular FormulaC100H106N20O7
Molecular Weight1700.08 g/mol
Exact Mass1698.86
IUPAC Name1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine
SMILESCC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1c[nH]c2cc(OC3CCOC3)ccc12.COCC(C)(c1ccc(-c2cnc(N)nc2)cc1)c1cn(CC(=O)O)c2ncccc12.COCCCC(=O)c1cccc2c(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)c[nH]c12.Cc1ccc(-c2cc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)[nH]n2)cn1
InChIInChI=1S/C27H30N4O2.C27H28N4O2.C23H25N7.C23H23N5O3/c1-17(2)27(3,20-6-4-18(5-7-20)19-13-30-26(28)31-14-19)24-15-29-25-12-21(8-9-23(24)25)33-22-10-11-32-16-22;1-33-14-3-7-24(32)22-6-2-5-21-23(17-29-25(21)22)27(12-4-13-27)20-10-8-18(9-11-20)19-15-30-26(28)31-16-19;1-14(2)23(4,21-9-20(29-30-21)16-6-5-15(3)25-10-16)18-7-8-19(26-13-18)17-11-27-22(24)28-12-17;1-23(14-31-2,17-7-5-15(6-8-17)16-10-26-22(24)27-11-16)19-12-28(13-20(29)30)21-18(19)4-3-9-25-21/h4-9,12-15,17,22,29H,10-11,16H2,1-3H3,(H2,28,30,31);2,5-6,8-11,15-17,29H,3-4,7,12-14H2,1H3,(H2,28,30,31);5-14H,1-4H3,(H,29,30)(H2,24,27,28);3-12H,13-14H2,1-2H3,(H,29,30)(H2,24,26,27)
InChIKeyAFZZWCNAIMBCTP-UHFFFAOYSA-N
XLogP17.91
TPSA402.35 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds26
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001700.08
LogP ≤ 517.91
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157370262
5-[4-[2-(4-fluoro-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-[2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine;5-[4-[2-(4-methoxy-1H-indol-3-yl)-3-methylbutan-2-yl]phenyl]pyrimidin-2-amine;5-[4-[1-methoxy-2-(1-methylpyrrolo[2,3-b]pyridin-3-yl)propan-2-yl]phenyl]pyrimidin-2-amine;methyl 4-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-pyrrole-3-carboxylate;5-[5-[3-methyl-2-[5-(1-methylpyrazol-4-yl)-1,2-oxazol-3-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine
CID 158037244
5-(1H-indol-6-yl)-2-[[4-(3-piperidin-1-ylpropoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(4-methylpentyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;5-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;1-phenyl-2-[4-[2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]pyrazol-1-yl]ethanone
CID 158110365
3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158444389
3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;methane;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158795000
1'-cyclobutyl-5-(7H-cyclopenta[b]pyrazin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(5H-cyclopenta[b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-furo[3,2-b]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-imidazo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-indolizin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(3-methyl-1H-imidazo[4,5-b]pyridin-3-ium-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(2-methylindazol-6-yl)spiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-pyrazolo[1,5-a]pyridin-6-ylspiro[3H-1-benzofuran-2,4'-piperidine];1'-cyclobutyl-5-(7H-pyrrolo[3,4-b]pyridin-3-yl)spiro[3H-1-benzofuran-2,4'-piperidine]
CID 158887485
3-dibenzofuran-4-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(3-ethyl-2H-indazol-6-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;3-(1H-indol-5-yl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-methyl-3-(4-propan-2-yloxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 159433853
4-[[4-cyclohexyloxy-5-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;4-[4-cyclohexyloxy-2-[[3-(1H-pyrazol-4-yl)phenyl]methyl]-7H-cyclopenta[d]pyrimidin-5-yl]phenol;4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-ethyl-N-methylbenzamide;methyl 4-[[4-cyclopentyloxy-5-(4-hydroxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methylbenzoate
CID 159753223
12-[2-cyclohexa-2,4-dien-1-yl-4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-6-phenylphenyl]-[1]benzofuro[3,2-a]carbazole;3,6-ditert-butyl-9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;5-[4-[4-(1,2-dihydropyridin-4-yl)-6-pyridin-4-yl-1,3,5-triazin-2-yl]-2,6-diphenylphenyl]-12-phenylindolo[3,2-c]carbazole;(E)-3-[4-[4-(3,6-diphenylcarbazol-9-yl)-3,5-diphenylphenyl]-6-pyridin-4-yl-1,3,5-triazin-2-yl]-N-ethenylprop-2-en-1-imine;5-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-[1]benzofuro[3,2-c]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]carbazole;9-[4-(4,6-dipyridin-4-yl-1,3,5-triazin-2-yl)-2,6-diphenylphenyl]-3,6-dimethylcarbazole;(E)-N-ethenyl-3-(4-pyridin-4-yl-1,3,5-triazin-2-yl)prop-2-en-1-imine;[(1E,3E)-1-phenylhexa-1,3,5-trien-3-yl]benzene;5-phenyl-12H-indolo[3,2-c]carbazole
CID 161113133
[4-(4-cyclohexylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-2-ylmethanone;[4-(9H-fluoren-2-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;[4-(1H-indazol-6-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-naphthalen-1-ylmethanone;naphthalen-1-yl-[4-(3-phenylanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 161117467
6H-furo[3,2-c]carbazole;6-(2-phenylpyrimidin-5-yl)furo[3,2-c]carbazole;6-(4-pyridin-2-ylphenyl)furo[3,2-c]carbazole;6-(2-pyridin-3-ylpyridazin-2-ium-4-yl)furo[3,2-c]carbazole;3-pyridin-4-ylpyridine
CID 161377592
6-(1H-indazol-5-yl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;6-(3H-inden-5-yl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine;1-[4-[3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridin-6-yl]phenyl]ethanone;3-(4-propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 161662285

Frequently Asked Questions

What is the IUPAC name of 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?
The IUPAC name of 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine (CID 157103291) is 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine is CC(C)C(C)(c1ccc(-c2cnc(N)nc2)cc1)c1c[nH]c2cc(OC3CCOC3)ccc12.COCC(C)(c1ccc(-c2cnc(N)nc2)cc1)c1cn(CC(=O)O)c2ncccc12.COCCCC(=O)c1cccc2c(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)c[nH]c12.Cc1ccc(-c2cc(C(C)(c3ccc(-c4cnc(N)nc4)nc3)C(C)C)[nH]n2)cn1.
What is the InChIKey of 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?
The InChIKey is AFZZWCNAIMBCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2.C27H28N4O2.C23H25N7.C23H23N5O3/c1-17(2)27(3,20-6-4-18(5-7-20)19-13-30-26(28)31-14-19)24-15-29-25-12-21(8-9-23(24)25)33-22-10-11-32-16-22;1-33-14-3-7-24(32)22-6-2-5-21-23(17-29-25(21)22)27(12-4-13-27)20-10-8-18(9-11-20)19-15-30-26(28)31-16-19;1-14(2)23(4,21-9-20(29-30-21)16-6-5-15(3)25-10-16)18-7-8-19(26-13-18)17-11-27-22(24)28-12-17;1-23(14-31-2,17-7-5-15(6-8-17)16-10-26-22(24)27-11-16)19-12-28(13-20(29)30)21-18(19)4-3-9-25-21/h4-9,12-15,17,22,29H,10-11,16H2,1-3H3,(H2,28,30,31);2,5-6,8-11,15-17,29H,3-4,7,12-14H2,1H3,(H2,28,30,31);5-14H,1-4H3,(H,29,30)(H2,24,27,28);3-12H,13-14H2,1-2H3,(H,29,30)(H2,24,26,27).
What are the key properties of 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine?
1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine has a molecular weight of 1700.08 g/mol, XLogP of 17.91, 26 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[1-[4-(2-aminopyrimidin-5-yl)phenyl]cyclobutyl]-1H-indol-7-yl]-4-methoxybutan-1-one;2-[3-[2-[4-(2-aminopyrimidin-5-yl)phenyl]-1-methoxypropan-2-yl]pyrrolo[2,3-b]pyridin-1-yl]acetic acid;5-[5-[3-methyl-2-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]butan-2-yl]-2-pyridinyl]pyrimidin-2-amine;5-[4-[3-methyl-2-[6-(oxolan-3-yloxy)-1H-indol-3-yl]butan-2-yl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 157103291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).