N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

C89H91ClN20O6S — CID 123986899

IUPACN-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCc1ccc(C(=O)N2CCC(n3cnc4c(-c5cccc6c5C=CC6)nc(N5CCOCC5)nc43)CC2)s1.O=C(Cc1cccnc1)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1.O=C(Nc1ccc(Cl)cc1)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1
InChIInChI=1S/C30H30ClN7O2.C30H31N7O2.C29H30N6O2S/c31-21-7-9-22(10-8-21)33-30(39)37-13-11-23(12-14-37)38-19-32-27-26(25-6-2-4-20-3-1-5-24(20)25)34-29(35-28(27)38)36-15-17-40-18-16-36;38-26(18-21-4-3-11-31-19-21)35-12-9-23(10-13-35)37-20-32-28-27(25-8-2-6-22-5-1-7-24(22)25)33-30(34-29(28)37)36-14-16-39-17-15-36;1-19-8-9-24(38-19)28(36)33-12-10-21(11-13-33)35-18-30-26-25(23-7-3-5-20-4-2-6-22(20)23)31-29(32-27(26)35)34-14-16-37-17-15-34/h1-2,4-10,19,23H,3,11-18H2,(H,33,39);1-4,6-8,11,19-20,23H,5,9-10,12-18H2;2-3,5-9,18,21H,4,10-17H2,1H3
InChIKeyAVWOZIGTGLWNAW-UHFFFAOYSA-N
MW1604.36 g/mol
LogP13.87
Rot. Bonds13

About N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone

N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (PubChem CID 123986899) has the molecular formula C89H91ClN20O6S and a molecular weight of 1604.36 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
PubChem CID123986899
Molecular FormulaC89H91ClN20O6S
Molecular Weight1604.36 g/mol
Exact Mass1602.68
IUPAC NameN-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone
SMILESCc1ccc(C(=O)N2CCC(n3cnc4c(-c5cccc6c5C=CC6)nc(N5CCOCC5)nc43)CC2)s1.O=C(Cc1cccnc1)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1.O=C(Nc1ccc(Cl)cc1)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1
InChIInChI=1S/C30H30ClN7O2.C30H31N7O2.C29H30N6O2S/c31-21-7-9-22(10-8-21)33-30(39)37-13-11-23(12-14-37)38-19-32-27-26(25-6-2-4-20-3-1-5-24(20)25)34-29(35-28(27)38)36-15-17-40-18-16-36;38-26(18-21-4-3-11-31-19-21)35-12-9-23(10-13-35)37-20-32-28-27(25-8-2-6-22-5-1-7-24(22)25)33-30(34-29(28)37)36-14-16-39-17-15-36;1-19-8-9-24(38-19)28(36)33-12-10-21(11-13-33)35-18-30-26-25(23-7-3-5-20-4-2-6-22(20)23)31-29(32-27(26)35)34-14-16-37-17-15-34/h1-2,4-10,19,23H,3,11-18H2,(H,33,39);1-4,6-8,11,19-20,23H,5,9-10,12-18H2;2-3,5-9,18,21H,4,10-17H2,1H3
InChIKeyAVWOZIGTGLWNAW-UHFFFAOYSA-N
XLogP13.87
TPSA254.06 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds13
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.36
LogP ≤ 513.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone with MolForge

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Related Compounds

4-[[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;2-(4-chlorophenyl)-N,N-diethyl-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;4-[[2-(4-chlorophenyl)-6-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one;4-[[2-(4-chlorophenyl)-6-pyridin-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 157343543
4-[[6-(2-chlorophenyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;2-(4-chlorophenyl)-N,N-diethyl-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide;4-[[2-(4-chlorophenyl)-6-(2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one;4-[[2-(4-chlorophenyl)-6-thiophen-2-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]methyl]morpholine
CID 158511743
4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-phenylethanone
CID 124034977
5-[1-(6-aminopurin-9-yl)ethyl]-6-phenylthieno[2,3-c]pyridin-7-one;5-chloro-4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrimidine-2,4-diamine;4-[8-[(4,4-dimethylpiperidin-1-yl)methyl]-9-ethyl-2-(1H-inden-4-yl)purin-6-yl]morpholine;methane;3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
CID 157262352
1-propan-2-yl-N-pyridin-2-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-3-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide;1-propan-2-yl-N-pyridin-4-yl-6-thiophen-2-ylpyrrolo[2,3-b]pyridine-4-carboxamide
CID 157376828
4-(benzotriazol-1-yl)-6-phenylthieno[2,3-d]pyrimidine;5-(4-chlorophenyl)-4-(2-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine;(2-methyl-1,5-diphenylpyrrol-3-yl)-morpholin-4-ylmethanone;5-phenyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 157409880
4-[6-chloro-8-[(4-methylmorpholin-2-yl)methylamino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-2-methyl-4-[8-[(4-methylmorpholin-2-yl)methylamino]-6-phenylsulfanylimidazo[1,2-b]pyridazin-3-yl]benzamide
CID 157445787
5-[1-(6-aminopurin-9-yl)ethyl]-6-phenylthieno[2,3-c]pyridin-7-one;5-chloro-4-N-[[2-(2-chlorophenyl)-8-methylquinolin-3-yl]methyl]pyrimidine-2,4-diamine;4-[8-[(4,4-dimethylpiperidin-1-yl)methyl]-9-ethyl-2-(1H-inden-4-yl)purin-6-yl]morpholine;3-[[4-methyl-5-(4-pyrazol-1-ylphenyl)-1,3-thiazol-2-yl]carbamoylamino]-N-(3-methyl-2H-pyrrol-5-yl)propanamide
CID 158174849
N-[[5-benzyl-3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[5-benzyl-3-[4-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]thiophen-2-yl]methyl]benzamide;N-[[3-[4-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]phenyl]-5-(morpholin-4-ylmethyl)thiophen-2-yl]methyl]-2-phenylacetamide
CID 158232963
[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-(5-methylthiophen-2-yl)methanone;[3-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpurin-9-yl]pyrrolidin-1-yl]-phenylmethanone;5-[9-butan-2-yl-2-(3-methylmorpholin-4-yl)purin-6-yl]pyrimidin-2-amine;5-(2-morpholin-4-yl-7H-purin-6-yl)pyrimidin-2-amine
CID 158343329
8-(2-methoxypyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;8-(2-methylpyrimidin-5-yl)-2-phenyl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyridin-3-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one;2-phenyl-8-pyrimidin-5-yl-3-[(1S)-1-([1,3]thiazolo[4,5-c]pyridin-4-ylamino)ethyl]isoquinolin-1-one
CID 158755020
1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-3-(3-chlorophenyl)propan-1-one;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-methylsulfanylethanone;1-[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 158758935

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The IUPAC name of N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone (CID 123986899) is N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone.
What is the SMILES notation for N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The canonical SMILES for N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is Cc1ccc(C(=O)N2CCC(n3cnc4c(-c5cccc6c5C=CC6)nc(N5CCOCC5)nc43)CC2)s1.O=C(Cc1cccnc1)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1.O=C(Nc1ccc(Cl)cc1)N1CCC(n2cnc3c(-c4cccc5c4C=CC5)nc(N4CCOCC4)nc32)CC1.
What is the InChIKey of N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
The InChIKey is AVWOZIGTGLWNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClN7O2.C30H31N7O2.C29H30N6O2S/c31-21-7-9-22(10-8-21)33-30(39)37-13-11-23(12-14-37)38-19-32-27-26(25-6-2-4-20-3-1-5-24(20)25)34-29(35-28(27)38)36-15-17-40-18-16-36;38-26(18-21-4-3-11-31-19-21)35-12-9-23(10-13-35)37-20-32-28-27(25-8-2-6-22-5-1-7-24(22)25)33-30(34-29(28)37)36-14-16-39-17-15-36;1-19-8-9-24(38-19)28(36)33-12-10-21(11-13-33)35-18-30-26-25(23-7-3-5-20-4-2-6-22(20)23)31-29(32-27(26)35)34-14-16-37-17-15-34/h1-2,4-10,19,23H,3,11-18H2,(H,33,39);1-4,6-8,11,19-20,23H,5,9-10,12-18H2;2-3,5-9,18,21H,4,10-17H2,1H3.
What are the key properties of N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone?
N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone has a molecular weight of 1604.36 g/mol, XLogP of 13.87, 13 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidine-1-carboxamide;[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-(5-methylthiophen-2-yl)methanone;1-[4-[6-(1H-inden-4-yl)-2-morpholin-4-ylpurin-9-yl]piperidin-1-yl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 123986899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).