3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide

C98H106N24O16S — CID 159227031

IUPAC3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide
SMILESCNC(=O)c1ccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC)cc4OC)nc(OC(C)C)c23)cc1.CNC(=O)c1ccc(Nc2cc3[nH]cc(-c4cnccn4)c3c(OC3CCOCC3)n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4cccc(S(C)(=O)=O)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4cnn(C)c4)c[nH]c3n2)c(OC)c1
InChIInChI=1S/C26H28N6O4.C25H26N6O4.C25H27N5O5S.C22H25N7O3/c1-14(2)36-25-21-18(15-6-8-16(9-7-15)23(33)27-3)13-29-22(21)31-26(32-25)30-19-11-10-17(24(34)28-4)12-20(19)35-5;1-26-24(32)15-3-4-18(21(11-15)33-2)30-22-12-19-23(17(13-29-19)20-14-27-7-8-28-20)25(31-22)35-16-5-9-34-10-6-16;1-14(2)35-24-21-18(15-7-6-8-17(11-15)36(5,32)33)13-27-22(21)29-25(30-24)28-19-10-9-16(23(31)26-3)12-20(19)34-4;1-12(2)32-21-18-15(14-9-25-29(4)11-14)10-24-19(18)27-22(28-21)26-16-7-6-13(20(30)23-3)8-17(16)31-5/h6-14H,1-5H3,(H,27,33)(H,28,34)(H2,29,30,31,32);3-4,7-8,11-14,16,29H,5-6,9-10H2,1-2H3,(H,26,32)(H,30,31);6-14H,1-5H3,(H,26,31)(H2,27,28,29,30);6-12H,1-5H3,(H,23,30)(H2,24,26,27,28)
InChIKeyKSKNFHMGYAGOTH-UHFFFAOYSA-N
MW1908.14 g/mol
LogP14.76
Rot. Bonds30

About 3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide

3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide (PubChem CID 159227031) has the molecular formula C98H106N24O16S and a molecular weight of 1908.14 g/mol. Its IUPAC name is 3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide.

Molecular Properties

Compound Name3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide
PubChem CID159227031
Molecular FormulaC98H106N24O16S
Molecular Weight1908.14 g/mol
Exact Mass1906.79
IUPAC Name3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide
SMILESCNC(=O)c1ccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC)cc4OC)nc(OC(C)C)c23)cc1.CNC(=O)c1ccc(Nc2cc3[nH]cc(-c4cnccn4)c3c(OC3CCOCC3)n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4cccc(S(C)(=O)=O)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4cnn(C)c4)c[nH]c3n2)c(OC)c1
InChIInChI=1S/C26H28N6O4.C25H26N6O4.C25H27N5O5S.C22H25N7O3/c1-14(2)36-25-21-18(15-6-8-16(9-7-15)23(33)27-3)13-29-22(21)31-26(32-25)30-19-11-10-17(24(34)28-4)12-20(19)35-5;1-26-24(32)15-3-4-18(21(11-15)33-2)30-22-12-19-23(17(13-29-19)20-14-27-7-8-28-20)25(31-22)35-16-5-9-34-10-6-16;1-14(2)35-24-21-18(15-7-6-8-17(11-15)36(5,32)33)13-27-22(21)29-25(30-24)28-19-10-9-16(23(31)26-3)12-20(19)34-4;1-12(2)32-21-18-15(14-9-25-29(4)11-14)10-24-19(18)27-22(28-21)26-16-7-6-13(20(30)23-3)8-17(16)31-5/h6-14H,1-5H3,(H,27,33)(H,28,34)(H2,29,30,31,32);3-4,7-8,11-14,16,29H,5-6,9-10H2,1-2H3,(H,26,32)(H,30,31);6-14H,1-5H3,(H,26,31)(H2,27,28,29,30);6-12H,1-5H3,(H,23,30)(H2,24,26,27,28)
InChIKeyKSKNFHMGYAGOTH-UHFFFAOYSA-N
XLogP14.76
TPSA507.82 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds30
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001908.14
LogP ≤ 514.76
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Analyze 3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide with MolForge

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Related Compounds

N-(2-cyclopropyloxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[2-(difluoromethoxy)-4-methylsulfonylphenyl]-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methoxy-4-methylsulfonylphenyl)-6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 162084109
4-[[5-[4-[[4-[2-[2-[[2-[[5-(4-acetamidophenyl)-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-(methylcarbamoyl)phenoxy]methoxy]-4-(methylcarbamoyl)anilino]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]sulfonylmethyl]-3-methoxyphenyl]-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 132033849
3-[2-[2-[[4-cyclopentyloxy-5-(3,4-dimethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-5-(methylcarbamoyl)phenoxy]ethoxy]-4-[[4-cyclopentyloxy-5-(3-methylsulfonylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide
CID 132033874
4-[[5-(2-amino-3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,N,3-trimethylbenzamide;N,3-dimethyl-4-[[4-(oxan-4-yloxy)-5-(3H-pyrrol-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[4-methoxy-5-(6-methoxy-3-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N,3-dimethylbenzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-4-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157126081
3-methoxy-4-[[5-(2-methoxy-4-pyridinyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrrol-3-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-pyrazin-2-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157147659
N-(2-aminoethyl)-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-(2-methoxyphenyl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;4-[[5-(6-ethoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 157231911
N-(1-acetylazetidin-3-yl)-4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-3-methoxybenzamide;4-cyclopentyloxy-N-(1,3-dimethylpyrazol-4-yl)-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine;4-[[4-cyclopentyloxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;4-[(4-cyclopentyloxy-5-quinolin-6-yl-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxy-N-methylbenzamide
CID 157278196
3-methoxy-4-[[4-methoxy-5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxetan-3-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]methyl]benzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-4-pyridinyl)-4-[(3S)-oxolan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[4-(oxolan-3-yloxy)-5-pyridin-4-yl-7H-cyclopenta[d]pyrimidin-2-yl]methyl]benzamide
CID 157383350
4-[[4-cyclopropyloxy-5-(1-methylpyrazol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;4-[[4-cyclopropyloxy-5-(1-methylpyrrol-3-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(2-hydroxyethyl)-3-methoxybenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
CID 157396229
N,3-dimethyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N,3-dimethyl-4-[[5-[3-(methylcarbamoyl)phenyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-(2-oxo-1H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157435782
3-methoxy-N-(2-methoxyethyl)-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-4-[[4-methoxy-5-(6-methoxy-3-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-4-[[5-(6-methoxy-3-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;N,N,3-trimethyl-4-[[5-(2-methyl-4-pyridinyl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157451828
N-[2-(dimethylamino)ethyl]-3-methoxy-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;4-[[5-[6-(dimethylamino)-3-pyridinyl]-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;3-methoxy-4-[[4-methoxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-methylbenzamide;3-methoxy-N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-propan-2-yloxy-7H-cyclopenta[d]pyrimidin-2-yl]amino]benzamide;N,N,3-trimethyl-4-[[5-(2-methyl-3H-benzimidazol-5-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
CID 157454668

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide?
The IUPAC name of 3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide (CID 159227031) is 3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide.
What is the SMILES notation for 3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide?
The canonical SMILES for 3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide is CNC(=O)c1ccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC)cc4OC)nc(OC(C)C)c23)cc1.CNC(=O)c1ccc(Nc2cc3[nH]cc(-c4cnccn4)c3c(OC3CCOCC3)n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4cccc(S(C)(=O)=O)c4)c[nH]c3n2)c(OC)c1.CNC(=O)c1ccc(Nc2nc(OC(C)C)c3c(-c4cnn(C)c4)c[nH]c3n2)c(OC)c1.
What is the InChIKey of 3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide?
The InChIKey is KSKNFHMGYAGOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O4.C25H26N6O4.C25H27N5O5S.C22H25N7O3/c1-14(2)36-25-21-18(15-6-8-16(9-7-15)23(33)27-3)13-29-22(21)31-26(32-25)30-19-11-10-17(24(34)28-4)12-20(19)35-5;1-26-24(32)15-3-4-18(21(11-15)33-2)30-22-12-19-23(17(13-29-19)20-14-27-7-8-28-20)25(31-22)35-16-5-9-34-10-6-16;1-14(2)35-24-21-18(15-7-6-8-17(11-15)36(5,32)33)13-27-22(21)29-25(30-24)28-19-10-9-16(23(31)26-3)12-20(19)34-4;1-12(2)32-21-18-15(14-9-25-29(4)11-14)10-24-19(18)27-22(28-21)26-16-7-6-13(20(30)23-3)8-17(16)31-5/h6-14H,1-5H3,(H,27,33)(H,28,34)(H2,29,30,31,32);3-4,7-8,11-14,16,29H,5-6,9-10H2,1-2H3,(H,26,32)(H,30,31);6-14H,1-5H3,(H,26,31)(H2,27,28,29,30);6-12H,1-5H3,(H,23,30)(H2,24,26,27,28).
What are the key properties of 3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide?
3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide has a molecular weight of 1908.14 g/mol, XLogP of 14.76, 30 rotatable bonds, 13 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-4-[[5-[4-(methylcarbamoyl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(1-methylpyrazol-4-yl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[5-(3-methylsulfonylphenyl)-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-(oxan-4-yloxy)-3-pyrazin-2-yl-1H-pyrrolo[3,2-c]pyridin-6-yl]amino]benzamide is sourced from PubChem (CID 159227031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).