1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile

C78H84N12O3 — CID 146474509

IUPAC1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)CC3OC1CCC(n3cc(-c4cnc5c(c4)NC(C)(C)C=C5OC4CCC(n5cc(-c6cnc7c(c6)NC(C)(C)CC7)c6cc(C#N)c(C)cc65)CC4)c4cc(C#N)c(C)cc43)CC1)cn2C1CCC(O)CC1
InChIInChI=1S/C78H84N12O3/c1-44-24-69-60(28-48(44)36-80)63(42-88(69)53-10-16-56(91)17-11-53)51-31-67-74(83-39-51)72(33-77(6,7)86-67)93-58-20-14-55(15-21-58)90-43-64(61-29-49(37-81)46(3)26-71(61)90)52-32-68-75(84-40-52)73(34-78(8,9)87-68)92-57-18-12-54(13-19-57)89-41-62(59-27-47(35-79)45(2)25-70(59)89)50-30-66-65(82-38-50)22-23-76(4,5)85-66/h24-32,34,38-43,53-58,72,85-87,91H,10-23,33H2,1-9H3
InChIKeyFFNAEOZIYHCXRL-UHFFFAOYSA-N
MW1237.61 g/mol
LogP17.47
Rot. Bonds10

About 1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile

1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile (PubChem CID 146474509) has the molecular formula C78H84N12O3 and a molecular weight of 1237.61 g/mol. Its IUPAC name is 1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile
PubChem CID146474509
Molecular FormulaC78H84N12O3
Molecular Weight1237.61 g/mol
Exact Mass1236.68
IUPAC Name1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)CC3OC1CCC(n3cc(-c4cnc5c(c4)NC(C)(C)C=C5OC4CCC(n5cc(-c6cnc7c(c6)NC(C)(C)CC7)c6cc(C#N)c(C)cc65)CC4)c4cc(C#N)c(C)cc43)CC1)cn2C1CCC(O)CC1
InChIInChI=1S/C78H84N12O3/c1-44-24-69-60(28-48(44)36-80)63(42-88(69)53-10-16-56(91)17-11-53)51-31-67-74(83-39-51)72(33-77(6,7)86-67)93-58-20-14-55(15-21-58)90-43-64(61-29-49(37-81)46(3)26-71(61)90)52-32-68-75(84-40-52)73(34-78(8,9)87-68)92-57-18-12-54(13-19-57)89-41-62(59-27-47(35-79)45(2)25-70(59)89)50-30-66-65(82-38-50)22-23-76(4,5)85-66/h24-32,34,38-43,53-58,72,85-87,91H,10-23,33H2,1-9H3
InChIKeyFFNAEOZIYHCXRL-UHFFFAOYSA-N
XLogP17.47
TPSA199.61 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001237.61
LogP ≤ 517.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile?
The IUPAC name of 1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile (CID 146474509) is 1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile.
What is the SMILES notation for 1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile?
The canonical SMILES for 1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1cnc3c(c1)NC(C)(C)CC3OC1CCC(n3cc(-c4cnc5c(c4)NC(C)(C)C=C5OC4CCC(n5cc(-c6cnc7c(c6)NC(C)(C)CC7)c6cc(C#N)c(C)cc65)CC4)c4cc(C#N)c(C)cc43)CC1)cn2C1CCC(O)CC1.
What is the InChIKey of 1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile?
The InChIKey is FFNAEOZIYHCXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H84N12O3/c1-44-24-69-60(28-48(44)36-80)63(42-88(69)53-10-16-56(91)17-11-53)51-31-67-74(83-39-51)72(33-77(6,7)86-67)93-58-20-14-55(15-21-58)90-43-64(61-29-49(37-81)46(3)26-71(61)90)52-32-68-75(84-40-52)73(34-78(8,9)87-68)92-57-18-12-54(13-19-57)89-41-62(59-27-47(35-79)45(2)25-70(59)89)50-30-66-65(82-38-50)22-23-76(4,5)85-66/h24-32,34,38-43,53-58,72,85-87,91H,10-23,33H2,1-9H3.
What are the key properties of 1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile?
1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile has a molecular weight of 1237.61 g/mol, XLogP of 17.47, 10 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[7-[5-cyano-1-[4-[[7-[5-cyano-1-(4-hydroxycyclohexyl)-6-methylindol-3-yl]-2,2-dimethyl-3,4-dihydro-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-6-methylindol-3-yl]-2,2-dimethyl-1H-1,5-naphthyridin-4-yl]oxy]cyclohexyl]-3-(6,6-dimethyl-7,8-dihydro-5H-1,5-naphthyridin-3-yl)-6-methylindole-5-carbonitrile is sourced from PubChem (CID 146474509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).