3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile

C23H23N3O — CID 137367880

IUPAC3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cccc3c1CCN3)cn2[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C23H23N3O/c1-14-9-23-20(10-15(14)12-24)21(13-26(23)16-5-6-17(27)11-16)18-3-2-4-22-19(18)7-8-25-22/h2-4,9-10,13,16-17,25,27H,5-8,11H2,1H3/t16-,17-/m1/s1
InChIKeyQAYOUWMXXPXGEL-IAGOWNOFSA-N
MW357.46 g/mol
LogP4.54
Rot. Bonds2

About 3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile

3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile (PubChem CID 137367880) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile
PubChem CID137367880
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC Name3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile
SMILESCc1cc2c(cc1C#N)c(-c1cccc3c1CCN3)cn2[C@@H]1CC[C@@H](O)C1
InChIInChI=1S/C23H23N3O/c1-14-9-23-20(10-15(14)12-24)21(13-26(23)16-5-6-17(27)11-16)18-3-2-4-22-19(18)7-8-25-22/h2-4,9-10,13,16-17,25,27H,5-8,11H2,1H3/t16-,17-/m1/s1
InChIKeyQAYOUWMXXPXGEL-IAGOWNOFSA-N
XLogP4.54
TPSA60.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile?
The IUPAC name of 3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile (CID 137367880) is 3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile is Cc1cc2c(cc1C#N)c(-c1cccc3c1CCN3)cn2[C@@H]1CC[C@@H](O)C1.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile?
The InChIKey is QAYOUWMXXPXGEL-IAGOWNOFSA-N. The full InChI is InChI=1S/C23H23N3O/c1-14-9-23-20(10-15(14)12-24)21(13-26(23)16-5-6-17(27)11-16)18-3-2-4-22-19(18)7-8-25-22/h2-4,9-10,13,16-17,25,27H,5-8,11H2,1H3/t16-,17-/m1/s1.
What are the key properties of 3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile?
3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile has a molecular weight of 357.46 g/mol, XLogP of 4.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-4-yl)-1-[(1R,3R)-3-hydroxycyclopentyl]-6-methylindole-5-carbonitrile is sourced from PubChem (CID 137367880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).