2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

C22H26FN3 — CID 142759390

IUPAC2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCN1Cc2c(n(CCc3cccnc3)c3c(F)ccc(C)c23)CC1C
InChIInChI=1S/C22H26FN3/c1-4-25-14-18-20(12-16(25)3)26(11-9-17-6-5-10-24-13-17)22-19(23)8-7-15(2)21(18)22/h5-8,10,13,16H,4,9,11-12,14H2,1-3H3
InChIKeyABXAMZPUQLPEMB-UHFFFAOYSA-N
MW351.47 g/mol
LogP4.49
Rot. Bonds4

About 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole

2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (PubChem CID 142759390) has the molecular formula C22H26FN3 and a molecular weight of 351.47 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
PubChem CID142759390
Molecular FormulaC22H26FN3
Molecular Weight351.47 g/mol
Exact Mass351.21
IUPAC Name2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
SMILESCCN1Cc2c(n(CCc3cccnc3)c3c(F)ccc(C)c23)CC1C
InChIInChI=1S/C22H26FN3/c1-4-25-14-18-20(12-16(25)3)26(11-9-17-6-5-10-24-13-17)22-19(23)8-7-15(2)21(18)22/h5-8,10,13,16H,4,9,11-12,14H2,1-3H3
InChIKeyABXAMZPUQLPEMB-UHFFFAOYSA-N
XLogP4.49
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole with MolForge

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Related Compounds

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-chloro-2,3-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759040
8-chloro-2-ethyl-3-methyl-5-[2-(3-methylphenyl)ethyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759098
1,2,3,8-tetramethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759333
8-chloro-2-ethyl-3-methyl-5-(3-phenylpropyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 142759060
8-chloro-3-methyl-5-[2-(6-methyl-3-pyridinyl)ethyl]-2-pentyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 91315071
4,5-difluoro-3-(2-pyridin-3-ylethyl)-1H-benzimidazole-2-thione
CID 62532024
6,8-difluoro-2,3-dimethyl-5-(2-phenylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 51029739
3-[2-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]ethyl]pyridine
CID 124742750
6,7-difluoro-1-(2-pyridin-3-ylethyl)benzimidazol-2-amine
CID 62532411
3-(2-pyrrolidin-1-ylethyl)pyridine
CID 23273673

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole (CID 142759390) is 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is CCN1Cc2c(n(CCc3cccnc3)c3c(F)ccc(C)c23)CC1C.
What is the InChIKey of 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
The InChIKey is ABXAMZPUQLPEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3/c1-4-25-14-18-20(12-16(25)3)26(11-9-17-6-5-10-24-13-17)22-19(23)8-7-15(2)21(18)22/h5-8,10,13,16H,4,9,11-12,14H2,1-3H3.
What are the key properties of 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole?
2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole has a molecular weight of 351.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-3,9-dimethyl-5-(2-pyridin-3-ylethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 142759390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).