6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C70H82N12O6S3 — CID 123836043

IUPAC6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCOCCN1CCN(c2nc(SCCc3ccccc3)c(C#N)c3c2COC(C)(Cc2cncc(CCSc4nc(N5CCOCC5)c5c(c4C#N)CC(C)(Cc4ccnc(CCSc6nc(N7CCOCC7)c7c(c6C#N)CC(C)(C)OC7)c4)OC5)c2)C3)CC1
InChIInChI=1S/C70H82N12O6S3/c1-68(2)37-53-56(40-71)65(77-63(59(53)45-86-68)81-21-26-84-27-22-81)91-32-14-52-34-49(11-15-75-52)35-69(3)38-54-57(41-72)67(78-64(61(54)47-87-69)82-23-28-85-29-24-82)90-31-13-50-33-51(44-74-43-50)36-70(4)39-55-58(42-73)66(89-30-12-48-9-7-6-8-10-48)76-62(60(55)46-88-70)80-18-16-79(17-19-80)20-25-83-5/h6-11,15,33-34,43-44H,12-14,16-32,35-39,45-47H2,1-5H3
InChIKeyQLJFTJQNUJHIJG-UHFFFAOYSA-N
MW1283.70 g/mol
LogP9.72
Rot. Bonds22

About 6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 123836043) has the molecular formula C70H82N12O6S3 and a molecular weight of 1283.70 g/mol. Its IUPAC name is 6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

Compound Name6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
PubChem CID123836043
Molecular FormulaC70H82N12O6S3
Molecular Weight1283.70 g/mol
Exact Mass1282.56
IUPAC Name6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
SMILESCOCCN1CCN(c2nc(SCCc3ccccc3)c(C#N)c3c2COC(C)(Cc2cncc(CCSc4nc(N5CCOCC5)c5c(c4C#N)CC(C)(Cc4ccnc(CCSc6nc(N7CCOCC7)c7c(c6C#N)CC(C)(C)OC7)c4)OC5)c2)C3)CC1
InChIInChI=1S/C70H82N12O6S3/c1-68(2)37-53-56(40-71)65(77-63(59(53)45-86-68)81-21-26-84-27-22-81)91-32-14-52-34-49(11-15-75-52)35-69(3)38-54-57(41-72)67(78-64(61(54)47-87-69)82-23-28-85-29-24-82)90-31-13-50-33-51(44-74-43-50)36-70(4)39-55-58(42-73)66(89-30-12-48-9-7-6-8-10-48)76-62(60(55)46-88-70)80-18-16-79(17-19-80)20-25-83-5/h6-11,15,33-34,43-44H,12-14,16-32,35-39,45-47H2,1-5H3
InChIKeyQLJFTJQNUJHIJG-UHFFFAOYSA-N
XLogP9.72
TPSA204.16 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds22
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001283.70
LogP ≤ 59.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,4-dimethyl-8-morpholin-4-yl-N-(2-morpholin-4-ylethyl)-N-(pyridin-3-ylmethyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-amine
CID 11628421
8-(2,6-Dimethylmorpholin-4-yl)-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86281625
3,3-Dimethyl-8-morpholin-4-yl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282570
8-[4-(2-Methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282573
8-[4-(2-Methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-pyridin-4-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 118727924
3,3-Dimethyl-8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 86282571
8-morpholin-4-yl-6-(2-pyridin-2-ylethylsulfanyl)-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile
CID 117687125
8-[4-(2-Methoxyethyl)piperazin-1-yl]-3,3-dimethyl-6-(2-pyridin-3-ylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 118727923
6-[2-[3-[[5-cyano-8-(2,6-dimethylmorpholin-4-yl)-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-8-(2,6-dimethylmorpholin-4-yl)-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 123136564
6-[[5-cyano-6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 123150814
6-[2-[3-[[5-cyano-6-[2-(1H-indol-3-yl)ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-5-fluorophenyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 123350750
6-[1-[5-Cyano-6-[2-(3-fluorophenyl)ethylsulfanyl]-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]propan-2-yl]-3,3-dimethyl-8-(4-propylpiperazin-1-yl)-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
CID 123431845

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The IUPAC name of 6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 123836043) is 6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.
What is the SMILES notation for 6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The canonical SMILES for 6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is COCCN1CCN(c2nc(SCCc3ccccc3)c(C#N)c3c2COC(C)(Cc2cncc(CCSc4nc(N5CCOCC5)c5c(c4C#N)CC(C)(Cc4ccnc(CCSc6nc(N7CCOCC7)c7c(c6C#N)CC(C)(C)OC7)c4)OC5)c2)C3)CC1.
What is the InChIKey of 6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
The InChIKey is QLJFTJQNUJHIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H82N12O6S3/c1-68(2)37-53-56(40-71)65(77-63(59(53)45-86-68)81-21-26-84-27-22-81)91-32-14-52-34-49(11-15-75-52)35-69(3)38-54-57(41-72)67(78-64(61(54)47-87-69)82-23-28-85-29-24-82)90-31-13-50-33-51(44-74-43-50)36-70(4)39-55-58(42-73)66(89-30-12-48-9-7-6-8-10-48)76-62(60(55)46-88-70)80-18-16-79(17-19-80)20-25-83-5/h6-11,15,33-34,43-44H,12-14,16-32,35-39,45-47H2,1-5H3.
What are the key properties of 6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?
6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 1283.70 g/mol, XLogP of 9.72, 22 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-[[5-cyano-6-[2-[5-[[5-cyano-8-[4-(2-methoxyethyl)piperazin-1-yl]-3-methyl-6-(2-phenylethylsulfanyl)-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-3-pyridinyl]ethylsulfanyl]-3-methyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridin-3-yl]methyl]-2-pyridinyl]ethylsulfanyl]-3,3-dimethyl-8-morpholin-4-yl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 123836043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).