[(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol

C25H31N3O — CID 144724621

IUPAC[(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1cc2cc(C3=NCCC(C4=CCCCC4)=C3)ccc2[nH]1
InChIInChI=1S/C25H31N3O/c29-17-23-7-4-12-28(23)16-22-14-21-13-20(8-9-24(21)27-22)25-15-19(10-11-26-25)18-5-2-1-3-6-18/h5,8-9,13-15,23,27,29H,1-4,6-7,10-12,16-17H2/t23-/m1/s1
InChIKeyTWJUVEDCFXGGEK-HSZRJFAPSA-N
MW389.54 g/mol
LogP4.74
Rot. Bonds5

About [(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol

[(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 144724621) has the molecular formula C25H31N3O and a molecular weight of 389.54 g/mol. Its IUPAC name is [(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID144724621
Molecular FormulaC25H31N3O
Molecular Weight389.54 g/mol
Exact Mass389.25
IUPAC Name[(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1Cc1cc2cc(C3=NCCC(C4=CCCCC4)=C3)ccc2[nH]1
InChIInChI=1S/C25H31N3O/c29-17-23-7-4-12-28(23)16-22-14-21-13-20(8-9-24(21)27-22)25-15-19(10-11-26-25)18-5-2-1-3-6-18/h5,8-9,13-15,23,27,29H,1-4,6-7,10-12,16-17H2/t23-/m1/s1
InChIKeyTWJUVEDCFXGGEK-HSZRJFAPSA-N
XLogP4.74
TPSA51.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.54
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 144724621) is [(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1Cc1cc2cc(C3=NCCC(C4=CCCCC4)=C3)ccc2[nH]1.
What is the InChIKey of [(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is TWJUVEDCFXGGEK-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H31N3O/c29-17-23-7-4-12-28(23)16-22-14-21-13-20(8-9-24(21)27-22)25-15-19(10-11-26-25)18-5-2-1-3-6-18/h5,8-9,13-15,23,27,29H,1-4,6-7,10-12,16-17H2/t23-/m1/s1.
What are the key properties of [(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol?
[(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 389.54 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[[5-[4-(cyclohexen-1-yl)-2,3-dihydropyridin-6-yl]-1H-indol-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 144724621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).