6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C21H23FN2 — CID 51029651

IUPAC6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2c(c3cccc(F)c3n2CCc2ccccc2)CN1C
InChIInChI=1S/C21H23FN2/c1-15-13-20-18(14-23(15)2)17-9-6-10-19(22)21(17)24(20)12-11-16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyIPMYVVXSWDOJAD-UHFFFAOYSA-N
MW322.43 g/mol
LogP4.40
Rot. Bonds3

About 6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 51029651) has the molecular formula C21H23FN2 and a molecular weight of 322.43 g/mol. Its IUPAC name is 6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID51029651
Molecular FormulaC21H23FN2
Molecular Weight322.43 g/mol
Exact Mass322.18
IUPAC Name6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCC1Cc2c(c3cccc(F)c3n2CCc2ccccc2)CN1C
InChIInChI=1S/C21H23FN2/c1-15-13-20-18(14-23(15)2)17-9-6-10-19(22)21(17)24(20)12-11-16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3
InChIKeyIPMYVVXSWDOJAD-UHFFFAOYSA-N
XLogP4.40
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

6,8-difluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029739
2-ethyl-6-fluoro-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759617
6-chloro-5-[2-(3-fluorophenyl)ethyl]-2,3-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759282
6-fluoro-2,3,9-trimethyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759530
6-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759040
2-ethyl-3,6-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51030938
2-ethyl-6-fluoro-3,9-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029742
6-fluoro-1,2-dimethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759603
5-[2-(4-chlorophenyl)ethyl]-2-ethyl-3,6-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759318
2-ethyl-3,6-dimethyl-5-[2-(4-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759480
6-fluoro-5-[2-(4-methoxyphenyl)ethyl]-1,2-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759079
2-benzyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759302

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 51029651) is 6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CC1Cc2c(c3cccc(F)c3n2CCc2ccccc2)CN1C.
What is the InChIKey of 6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is IPMYVVXSWDOJAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2/c1-15-13-20-18(14-23(15)2)17-9-6-10-19(22)21(17)24(20)12-11-16-7-4-3-5-8-16/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 322.43 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 51029651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).