6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

C120H158BrN21O13S5 — CID 160611353

IUPAC6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCN1CCCN(c2nc(SCCc3cccc(Br)c3)c(C#N)c3c2COC(C)(C)C3)CC1.COCCN1CCN(c2nc(SCCC3COCCO3)c(C#N)c3c2COC(C)(C)C3)CC1.COCCN1CCN(c2nc(SCCC3OCCO3)c(C#N)c3c2COC(C)(C)C3)CC1.COCCN1CCN(c2nc(SCCc3c[nH]c4ccccc34)c(C#N)c3c2COC(C)(C)C3)CC1.N#Cc1c(SCCc2ccccn2)nc(N2CCOCC2)c2c1CCOC2
InChIInChI=1S/C28H35N5O2S.C25H31BrN4OS.C24H36N4O4S.C23H34N4O4S.C20H22N4O2S/c1-28(2)16-22-23(17-29)27(36-15-8-20-18-30-25-7-5-4-6-21(20)25)31-26(24(22)19-35-28)33-11-9-32(10-12-33)13-14-34-3;1-25(2)15-20-21(16-27)24(32-13-8-18-6-4-7-19(26)14-18)28-23(22(20)17-31-25)30-10-5-9-29(3)11-12-30;1-24(2)14-19-20(15-25)23(33-13-4-18-16-30-11-12-31-18)26-22(21(19)17-32-24)28-7-5-27(6-8-28)9-10-29-3;1-23(2)14-17-18(15-24)22(32-13-4-20-29-11-12-30-20)25-21(19(17)16-31-23)27-7-5-26(6-8-27)9-10-28-3;21-13-17-16-4-9-26-14-18(16)19(24-7-10-25-11-8-24)23-20(17)27-12-5-15-3-1-2-6-22-15/h4-7,18,30H,8-16,19H2,1-3H3;4,6-7,14H,5,8-13,15,17H2,1-3H3;18H,4-14,16-17H2,1-3H3;20H,4-14,16H2,1-3H3;1-3,6H,4-5,7-12,14H2
InChIKeyRFNISTXJYFOGED-UHFFFAOYSA-N
MW2342.96 g/mol
LogP16.92
Rot. Bonds34

About 6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile

6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 160611353) has the molecular formula C120H158BrN21O13S5 and a molecular weight of 2342.96 g/mol. Its IUPAC name is 6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID160611353
Molecular FormulaC120H158BrN21O13S5
Molecular Weight2342.96 g/mol
Exact Mass2340.01
IUPAC Name6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
SMILESCN1CCCN(c2nc(SCCc3cccc(Br)c3)c(C#N)c3c2COC(C)(C)C3)CC1.COCCN1CCN(c2nc(SCCC3COCCO3)c(C#N)c3c2COC(C)(C)C3)CC1.COCCN1CCN(c2nc(SCCC3OCCO3)c(C#N)c3c2COC(C)(C)C3)CC1.COCCN1CCN(c2nc(SCCc3c[nH]c4ccccc34)c(C#N)c3c2COC(C)(C)C3)CC1.N#Cc1c(SCCc2ccccn2)nc(N2CCOCC2)c2c1CCOC2
InChIInChI=1S/C28H35N5O2S.C25H31BrN4OS.C24H36N4O4S.C23H34N4O4S.C20H22N4O2S/c1-28(2)16-22-23(17-29)27(36-15-8-20-18-30-25-7-5-4-6-21(20)25)31-26(24(22)19-35-28)33-11-9-32(10-12-33)13-14-34-3;1-25(2)15-20-21(16-27)24(32-13-8-18-6-4-7-19(26)14-18)28-23(22(20)17-31-25)30-10-5-9-29(3)11-12-30;1-24(2)14-19-20(15-25)23(33-13-4-18-16-30-11-12-31-18)26-22(21(19)17-32-24)28-7-5-27(6-8-28)9-10-29-3;1-23(2)14-17-18(15-24)22(32-13-4-20-29-11-12-30-20)25-21(19(17)16-31-23)27-7-5-26(6-8-27)9-10-28-3;21-13-17-16-4-9-26-14-18(16)19(24-7-10-25-11-8-24)23-20(17)27-12-5-15-3-1-2-6-22-15/h4-7,18,30H,8-16,19H2,1-3H3;4,6-7,14H,5,8-13,15,17H2,1-3H3;18H,4-14,16-17H2,1-3H3;20H,4-14,16H2,1-3H3;1-3,6H,4-5,7-12,14H2
InChIKeyRFNISTXJYFOGED-UHFFFAOYSA-N
XLogP16.92
TPSA361.23 Ų
H-Bond Donors1
H-Bond Acceptors38
Rotatable Bonds34
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002342.96
LogP ≤ 516.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1038

Analyze 6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(2,4-dichlorophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 157091822
6-[2-(3-hydroxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86281362
3,3-dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282571
6-[2-(2,3-dihydro-1-benzofuran-5-yl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282848
6-[2-(3-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(4-chlorophenoxy)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-fluorophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-[2-(hydroxymethyl)pyrrolidin-1-yl]-3,3-dimethyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 161128797
6-[(3,4-dichlorophenyl)methylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 3290963
8-(2,6-dimethylmorpholin-4-yl)-6-[2-(3-methoxyphenyl)ethylsulfanyl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86280957
2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide
CID 20895497
3,3-dimethyl-8-morpholin-4-yl-6-(2-piperidin-1-ylethoxy)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;oxalic acid
CID 56698837
3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282437
3,3-dimethyl-8-morpholin-4-yl-6-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 1422474
2-[4-(5-cyano-3,3-dimethyl-6-methylsulfanyl-1,4-dihydropyrano[3,4-c]pyridin-8-yl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 97264271

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile (CID 160611353) is 6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is CN1CCCN(c2nc(SCCc3cccc(Br)c3)c(C#N)c3c2COC(C)(C)C3)CC1.COCCN1CCN(c2nc(SCCC3COCCO3)c(C#N)c3c2COC(C)(C)C3)CC1.COCCN1CCN(c2nc(SCCC3OCCO3)c(C#N)c3c2COC(C)(C)C3)CC1.COCCN1CCN(c2nc(SCCc3c[nH]c4ccccc34)c(C#N)c3c2COC(C)(C)C3)CC1.N#Cc1c(SCCc2ccccn2)nc(N2CCOCC2)c2c1CCOC2.
What is the InChIKey of 6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is RFNISTXJYFOGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2S.C25H31BrN4OS.C24H36N4O4S.C23H34N4O4S.C20H22N4O2S/c1-28(2)16-22-23(17-29)27(36-15-8-20-18-30-25-7-5-4-6-21(20)25)31-26(24(22)19-35-28)33-11-9-32(10-12-33)13-14-34-3;1-25(2)15-20-21(16-27)24(32-13-8-18-6-4-7-19(26)14-18)28-23(22(20)17-31-25)30-10-5-9-29(3)11-12-30;1-24(2)14-19-20(15-25)23(33-13-4-18-16-30-11-12-31-18)26-22(21(19)17-32-24)28-7-5-27(6-8-28)9-10-29-3;1-23(2)14-17-18(15-24)22(32-13-4-20-29-11-12-30-20)25-21(19(17)16-31-23)27-7-5-26(6-8-27)9-10-28-3;21-13-17-16-4-9-26-14-18(16)19(24-7-10-25-11-8-24)23-20(17)27-12-5-15-3-1-2-6-22-15/h4-7,18,30H,8-16,19H2,1-3H3;4,6-7,14H,5,8-13,15,17H2,1-3H3;18H,4-14,16-17H2,1-3H3;20H,4-14,16H2,1-3H3;1-3,6H,4-5,7-12,14H2.
What are the key properties of 6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile?
6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 2342.96 g/mol, XLogP of 16.92, 34 rotatable bonds, 1 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-bromophenyl)ethylsulfanyl]-3,3-dimethyl-8-(4-methyl-1,4-diazepan-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,4-dioxan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1,3-dioxolan-2-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;6-[2-(1H-indol-3-yl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile;8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 160611353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).