2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol

C25H28N2O2 — CID 21243324

IUPAC2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol
SMILESOCc1cccc2c(CCCCN3CCC4=C(C3)C(O)c3ccccc34)c[nH]c12
InChIInChI=1S/C25H28N2O2/c28-16-18-7-5-10-19-17(14-26-24(18)19)6-3-4-12-27-13-11-21-20-8-1-2-9-22(20)25(29)23(21)15-27/h1-2,5,7-10,14,25-26,28-29H,3-4,6,11-13,15-16H2
InChIKeyWOZRRLWELQIXQS-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.19
Rot. Bonds6

About 2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol

2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol (PubChem CID 21243324) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol.

Molecular Properties

Compound Name2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol
PubChem CID21243324
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol
SMILESOCc1cccc2c(CCCCN3CCC4=C(C3)C(O)c3ccccc34)c[nH]c12
InChIInChI=1S/C25H28N2O2/c28-16-18-7-5-10-19-17(14-26-24(18)19)6-3-4-12-27-13-11-21-20-8-1-2-9-22(20)25(29)23(21)15-27/h1-2,5,7-10,14,25-26,28-29H,3-4,6,11-13,15-16H2
InChIKeyWOZRRLWELQIXQS-UHFFFAOYSA-N
XLogP4.19
TPSA59.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol with MolForge

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Related Compounds

3-[4-(9-hydroxy-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid
CID 21243240
2-[3-[4-(hydroxymethyl)-1H-indol-3-yl]propylsulfanyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol
CID 54340649
[3-[2-(2,4,5,6-tetrahydro-1H-benzo[f]isoquinolin-3-yl)ethylsulfanylmethyl]-1H-indol-7-yl]methanol
CID 21243238
2-[4-(1H-indol-3-yl)butyl]-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine 9,9-dioxide
CID 21243271
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
7-bromo-3-[4-(3-phenylpiperidin-1-yl)butyl]-1H-indole
CID 70046544
3-[4-(3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridin-2-yl)butyl]-1H-indole-5-carboxylic acid
CID 21243328
3-[4-(3,4-dihydro-1H-[1]benzofuro[2,3-c]pyridin-2-yl)butyl]-1H-indole-4-carboxylic acid
CID 21243262
3-[4-(1,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydroindeno[2,1-c]pyridin-2-yl)butyl]-1H-indole-7-carboxylic acid
CID 56986015
3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole
CID 70044838
8-(hydroxymethyl)-3-(5-phenylpentyl)-1,2,4,5-tetrahydro-3-benzazepin-5-ol
CID 140904779
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(7-ethyl-1H-indol-3-yl)ethanone
CID 9248225

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol?
The IUPAC name of 2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol (CID 21243324) is 2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol.
What is the SMILES notation for 2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol?
The canonical SMILES for 2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol is OCc1cccc2c(CCCCN3CCC4=C(C3)C(O)c3ccccc34)c[nH]c12.
What is the InChIKey of 2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol?
The InChIKey is WOZRRLWELQIXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c28-16-18-7-5-10-19-17(14-26-24(18)19)6-3-4-12-27-13-11-21-20-8-1-2-9-22(20)25(29)23(21)15-27/h1-2,5,7-10,14,25-26,28-29H,3-4,6,11-13,15-16H2.
What are the key properties of 2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol?
2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol has a molecular weight of 388.51 g/mol, XLogP of 4.19, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-(hydroxymethyl)-1H-indol-3-yl]butyl]-1,3,4,9-tetrahydroindeno[2,3-c]pyridin-9-ol is sourced from PubChem (CID 21243324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).