1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile

C25H27N3O — CID 137422755

IUPAC1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1ccc3c(c1C)NCC3)cn2C1CCC(O)CC1
InChIInChI=1S/C25H27N3O/c1-15-11-24-22(12-18(15)13-26)23(14-28(24)19-4-6-20(29)7-5-19)21-8-3-17-9-10-27-25(17)16(21)2/h3,8,11-12,14,19-20,27,29H,4-7,9-10H2,1-2H3
InChIKeyHQTUSGRUXXJDFG-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.24
Rot. Bonds2

About 1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile

1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile (PubChem CID 137422755) has the molecular formula C25H27N3O and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile.

Molecular Properties

Compound Name1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile
PubChem CID137422755
Molecular FormulaC25H27N3O
Molecular Weight385.51 g/mol
Exact Mass385.22
IUPAC Name1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1ccc3c(c1C)NCC3)cn2C1CCC(O)CC1
InChIInChI=1S/C25H27N3O/c1-15-11-24-22(12-18(15)13-26)23(14-28(24)19-4-6-20(29)7-5-19)21-8-3-17-9-10-27-25(17)16(21)2/h3,8,11-12,14,19-20,27,29H,4-7,9-10H2,1-2H3
InChIKeyHQTUSGRUXXJDFG-UHFFFAOYSA-N
XLogP5.24
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile?
The IUPAC name of 1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile (CID 137422755) is 1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile.
What is the SMILES notation for 1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile?
The canonical SMILES for 1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1ccc3c(c1C)NCC3)cn2C1CCC(O)CC1.
What is the InChIKey of 1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile?
The InChIKey is HQTUSGRUXXJDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O/c1-15-11-24-22(12-18(15)13-26)23(14-28(24)19-4-6-20(29)7-5-19)21-8-3-17-9-10-27-25(17)16(21)2/h3,8,11-12,14,19-20,27,29H,4-7,9-10H2,1-2H3.
What are the key properties of 1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile?
1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile has a molecular weight of 385.51 g/mol, XLogP of 5.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxycyclohexyl)-6-methyl-3-(7-methyl-2,3-dihydro-1H-indol-6-yl)indole-5-carbonitrile is sourced from PubChem (CID 137422755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).