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

C117H121N25O14 — CID 157278196

IUPACN-(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
SMILESC=C(NC)c1ccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC5COC5)cc4OC)nc(OC4CCCC4)c23)cc1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5ncccc5c4)c[nH]c3n2)c(OC)c1.COc1cc(C(=O)NC2CN(C(C)=O)C2)ccc1Nc1nc2c(c(OC3CCCC3)n1)C(c1ccc3nc(C)oc3c1)=CC2.Cc1nc2ccc(-c3c[nH]c4nc(Nc5cn(C)nc5C)nc(OC5CCCC5)c34)cc2o1
InChIInChI=1S/C33H34N6O5.C31H34N6O4.C29H28N6O3.C24H25N7O2/c1-18-34-26-11-8-20(14-29(26)43-18)24-10-13-27-30(24)32(44-23-6-4-5-7-23)38-33(37-27)36-25-12-9-21(15-28(25)42-3)31(41)35-22-16-39(17-22)19(2)40;1-18(32-2)19-8-10-20(11-9-19)24-15-33-28-27(24)30(41-23-6-4-5-7-23)37-31(36-28)35-25-13-12-21(14-26(25)39-3)29(38)34-22-16-40-17-22;1-30-27(36)19-10-12-23(24(15-19)37-2)33-29-34-26-25(28(35-29)38-20-7-3-4-8-20)21(16-32-26)17-9-11-22-18(14-17)6-5-13-31-22;1-13-19(12-31(3)30-13)27-24-28-22-21(23(29-24)33-16-6-4-5-7-16)17(11-25-22)15-8-9-18-20(10-15)32-14(2)26-18/h8-12,14-15,22-23H,4-7,13,16-17H2,1-3H3,(H,35,41)(H,36,37,38);8-15,22-23,32H,1,4-7,16-17H2,2-3H3,(H,34,38)(H2,33,35,36,37);5-6,9-16,20H,3-4,7-8H2,1-2H3,(H,30,36)(H2,32,33,34,35);8-12,16H,4-7H2,1-3H3,(H2,25,27,28,29)
InChIKeyAZIUHZSBRUIJPO-UHFFFAOYSA-N
MW2101.42 g/mol
LogP20.75
Rot. Bonds30

About 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

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 (PubChem CID 157278196) has the molecular formula C117H121N25O14 and a molecular weight of 2101.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID157278196
Molecular FormulaC117H121N25O14
Molecular Weight2101.42 g/mol
Exact Mass2099.95
IUPAC NameN-(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
SMILESC=C(NC)c1ccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC5COC5)cc4OC)nc(OC4CCCC4)c23)cc1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5ncccc5c4)c[nH]c3n2)c(OC)c1.COc1cc(C(=O)NC2CN(C(C)=O)C2)ccc1Nc1nc2c(c(OC3CCCC3)n1)C(c1ccc3nc(C)oc3c1)=CC2.Cc1nc2ccc(-c3c[nH]c4nc(Nc5cn(C)nc5C)nc(OC5CCCC5)c34)cc2o1
InChIInChI=1S/C33H34N6O5.C31H34N6O4.C29H28N6O3.C24H25N7O2/c1-18-34-26-11-8-20(14-29(26)43-18)24-10-13-27-30(24)32(44-23-6-4-5-7-23)38-33(37-27)36-25-12-9-21(15-28(25)42-3)31(41)35-22-16-39(17-22)19(2)40;1-18(32-2)19-8-10-20(11-9-19)24-15-33-28-27(24)30(41-23-6-4-5-7-23)37-31(36-28)35-25-13-12-21(14-26(25)39-3)29(38)34-22-16-40-17-22;1-30-27(36)19-10-12-23(24(15-19)37-2)33-29-34-26-25(28(35-29)38-20-7-3-4-8-20)21(16-32-26)17-9-11-22-18(14-17)6-5-13-31-22;1-13-19(12-31(3)30-13)27-24-28-22-21(23(29-24)33-16-6-4-5-7-16)17(11-25-22)15-8-9-18-20(10-15)32-14(2)26-18/h8-12,14-15,22-23H,4-7,13,16-17H2,1-3H3,(H,35,41)(H,36,37,38);8-15,22-23,32H,1,4-7,16-17H2,2-3H3,(H,34,38)(H2,33,35,36,37);5-6,9-16,20H,3-4,7-8H2,1-2H3,(H,30,36)(H2,32,33,34,35);8-12,16H,4-7H2,1-3H3,(H2,25,27,28,29)
InChIKeyAZIUHZSBRUIJPO-UHFFFAOYSA-N
XLogP20.75
TPSA474.86 Ų
H-Bond Donors11
H-Bond Acceptors32
Rotatable Bonds30
Heavy Atoms156
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002101.42
LogP ≤ 520.75
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1032

Analyze 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 with MolForge

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Related Compounds

3-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-2-pyrimidin-5-ylprop-2-enamide;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide
CID 172880388
6-[7-(difluoromethyl)-1-[6-(methylcarbamoylamino)-2-pyridinyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]-2-[6-[8-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-2-(methylcarbamoyl)quinolin-5-yl]-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-N-methyl-1,3-benzoxazole-4-carboxamide
CID 132181505
1-[7-[5-[[2-[2-[3-ethoxy-4-[4-[2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetyl]piperazin-1-yl]phenyl]-4-pyridinyl]ethylamino]methyl]-1H-pyrazol-3-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]ethane-1,2-dione
CID 143573582
5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 157102765
3-methoxy-N-methyl-4-[[4-propan-2-yloxy-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(2,2,2-trifluoroethyl)benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(trifluoromethyl)benzamide
CID 157850428
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158066669
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(3-methoxyazetidine-1-carbonyl)-3-propan-2-ylpyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-methoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;(2R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]-3,3,3-trifluoro-2-(5-fluoro-1H-indol-3-yl)propanamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-[1,2,4]triazolo[1,5-a]benzimidazol-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[2-(trifluoromethyl)indol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158659207
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(1-propan-2-ylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158842506
4-[[4-cyclopropyloxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;4-[[4-(3,3-difluorocyclobutyl)oxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;3-methoxy-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-[(3S)-oxolan-3-yl]oxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(oxetan-3-yl)benzamide
CID 158877003
4-[[4-cyclopropyloxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;4-[[4-(3,3-difluorocyclobutyl)oxy-5-[4-[1-(methylamino)ethenyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-(oxetan-3-yl)benzamide;3-methoxy-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxolan-3-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-N-(oxetan-3-yl)benzamide
CID 158877004
N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-2-(hydroxymethyl)phenyl]methyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-(methoxymethyl)phenyl]methyl]-2-methylbenzamide;N-[1-[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]-2-hydroxyethyl]-2-methylbenzamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-5,5-difluoropiperidine-2-carboxamide;N-[[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-3,4-dihydro-2H-1,4-benzoxazine-3-carboxamide;bis(N-[[5-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyrazin-2-yl]methyl]-2-methylbenzamide);N-[[6-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)pyridazin-3-yl]methyl]-2-methylbenzamide
CID 158898889
4-[[5-(4-acetamido-3-hydroxyphenyl)-4-cyclopentyloxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-methylbenzamide;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-cyclopenta[d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-[(3S,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]methanone;[4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-(4,4-difluoropiperidin-1-yl)methanone;4-[[4-cyclopentyloxy-5-(2-methyl-1,3-benzoxazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-N-piperidin-1-ylbenzamide
CID 159072392

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=C(NC)c1ccc(-c2c[nH]c3nc(Nc4ccc(C(=O)NC5COC5)cc4OC)nc(OC4CCCC4)c23)cc1.CNC(=O)c1ccc(Nc2nc(OC3CCCC3)c3c(-c4ccc5ncccc5c4)c[nH]c3n2)c(OC)c1.COc1cc(C(=O)NC2CN(C(C)=O)C2)ccc1Nc1nc2c(c(OC3CCCC3)n1)C(c1ccc3nc(C)oc3c1)=CC2.Cc1nc2ccc(-c3c[nH]c4nc(Nc5cn(C)nc5C)nc(OC5CCCC5)c34)cc2o1.
What is the InChIKey of 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?
The InChIKey is AZIUHZSBRUIJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N6O5.C31H34N6O4.C29H28N6O3.C24H25N7O2/c1-18-34-26-11-8-20(14-29(26)43-18)24-10-13-27-30(24)32(44-23-6-4-5-7-23)38-33(37-27)36-25-12-9-21(15-28(25)42-3)31(41)35-22-16-39(17-22)19(2)40;1-18(32-2)19-8-10-20(11-9-19)24-15-33-28-27(24)30(41-23-6-4-5-7-23)37-31(36-28)35-25-13-12-21(14-26(25)39-3)29(38)34-22-16-40-17-22;1-30-27(36)19-10-12-23(24(15-19)37-2)33-29-34-26-25(28(35-29)38-20-7-3-4-8-20)21(16-32-26)17-9-11-22-18(14-17)6-5-13-31-22;1-13-19(12-31(3)30-13)27-24-28-22-21(23(29-24)33-16-6-4-5-7-16)17(11-25-22)15-8-9-18-20(10-15)32-14(2)26-18/h8-12,14-15,22-23H,4-7,13,16-17H2,1-3H3,(H,35,41)(H,36,37,38);8-15,22-23,32H,1,4-7,16-17H2,2-3H3,(H,34,38)(H2,33,35,36,37);5-6,9-16,20H,3-4,7-8H2,1-2H3,(H,30,36)(H2,32,33,34,35);8-12,16H,4-7H2,1-3H3,(H2,25,27,28,29).
What are the key properties of 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?
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 has a molecular weight of 2101.42 g/mol, XLogP of 20.75, 30 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157278196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).