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

C123H149Br2Cl2N21O7S5 — CID 157091822

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-(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
SMILESCN1CCCN(c2nc(SCCc3ccc(Br)cc3)c(C#N)c3c2COC(C)(C)C3)CC1.CN1CCCN(c2nc(SCCc3ccc(Cl)cc3Cl)c(C#N)c3c2COC(C)(C)C3)CC1.CN1CCCN(c2nc(SCCc3cccc(Br)c3)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.2C25H31BrN4OS.C25H30Cl2N4OS.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(32-14-9-18-5-7-19(26)8-6-18)28-23(22(20)17-31-25)30-11-4-10-29(3)12-13-30;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;1-25(2)14-19-20(15-28)24(33-12-7-17-5-6-18(26)13-22(17)27)29-23(21(19)16-32-25)31-9-4-8-30(3)10-11-31;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;5-8H,4,9-15,17H2,1-3H3;4,6-7,14H,5,8-13,15,17H2,1-3H3;5-6,13H,4,7-12,14,16H2,1-3H3;1-3,6H,4-5,7-12,14H2
InChIKeyAETGCLSNSAEGCJ-UHFFFAOYSA-N
MW2424.73 g/mol
LogP22.66
Rot. Bonds28

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-(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

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 (PubChem CID 157091822) has the molecular formula C123H149Br2Cl2N21O7S5 and a molecular weight of 2424.73 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-(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.

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-(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
PubChem CID157091822
Molecular FormulaC123H149Br2Cl2N21O7S5
Molecular Weight2424.73 g/mol
Exact Mass2419.83
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-(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
SMILESCN1CCCN(c2nc(SCCc3ccc(Br)cc3)c(C#N)c3c2COC(C)(C)C3)CC1.CN1CCCN(c2nc(SCCc3ccc(Cl)cc3Cl)c(C#N)c3c2COC(C)(C)C3)CC1.CN1CCCN(c2nc(SCCc3cccc(Br)c3)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.2C25H31BrN4OS.C25H30Cl2N4OS.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(32-14-9-18-5-7-19(26)8-6-18)28-23(22(20)17-31-25)30-11-4-10-29(3)12-13-30;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;1-25(2)14-19-20(15-28)24(33-12-7-17-5-6-18(26)13-22(17)27)29-23(21(19)16-32-25)31-9-4-8-30(3)10-11-31;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;5-8H,4,9-15,17H2,1-3H3;4,6-7,14H,5,8-13,15,17H2,1-3H3;5-6,13H,4,7-12,14,16H2,1-3H3;1-3,6H,4-5,7-12,14H2
InChIKeyAETGCLSNSAEGCJ-UHFFFAOYSA-N
XLogP22.66
TPSA305.85 Ų
H-Bond Donors1
H-Bond Acceptors32
Rotatable Bonds28
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002424.73
LogP ≤ 522.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1032

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-(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 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-(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
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-(3-hydroxyphenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86281362
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-[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-cyanophenyl)ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86281624
6-[(3,4-dichlorophenyl)methylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 3290963
6-[2-[4-[[6-[2-(4-chlorophenoxy)ethylsulfanyl]-5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-1,3-dioxan-2-yl]ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 123657063
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
3,3-dimethyl-8-morpholin-4-yl-6-(2-phenylethylsulfinyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282437
2-[(5-cyano-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-6-yl)sulfanyl]-N-(1,3-thiazol-2-yl)acetamide
CID 2964834
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

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-(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?
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-(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) 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-(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.
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-(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?
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-(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 is CN1CCCN(c2nc(SCCc3ccc(Br)cc3)c(C#N)c3c2COC(C)(C)C3)CC1.CN1CCCN(c2nc(SCCc3ccc(Cl)cc3Cl)c(C#N)c3c2COC(C)(C)C3)CC1.CN1CCCN(c2nc(SCCc3cccc(Br)c3)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-(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?
The InChIKey is AETGCLSNSAEGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O2S.2C25H31BrN4OS.C25H30Cl2N4OS.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(32-14-9-18-5-7-19(26)8-6-18)28-23(22(20)17-31-25)30-11-4-10-29(3)12-13-30;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;1-25(2)14-19-20(15-28)24(33-12-7-17-5-6-18(26)13-22(17)27)29-23(21(19)16-32-25)31-9-4-8-30(3)10-11-31;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;5-8H,4,9-15,17H2,1-3H3;4,6-7,14H,5,8-13,15,17H2,1-3H3;5-6,13H,4,7-12,14,16H2,1-3H3;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-(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?
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 has a molecular weight of 2424.73 g/mol, XLogP of 22.66, 28 rotatable bonds, 1 hydrogen bond donors, and 32 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-(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 is sourced from PubChem (CID 157091822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).