2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol

C23H29N3O — CID 123794847

IUPAC2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol
SMILESCN1CCc2c(c3cc(C(C)(C)C)ccc3n2C(CO)c2ccncc2)C1
InChIInChI=1S/C23H29N3O/c1-23(2,3)17-5-6-20-18(13-17)19-14-25(4)12-9-21(19)26(20)22(15-27)16-7-10-24-11-8-16/h5-8,10-11,13,22,27H,9,12,14-15H2,1-4H3
InChIKeySNSMWYJWTBGLTF-UHFFFAOYSA-N
MW363.51 g/mol
LogP3.90
Rot. Bonds3

About 2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol

2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol (PubChem CID 123794847) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol.

Molecular Properties

Compound Name2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol
PubChem CID123794847
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol
SMILESCN1CCc2c(c3cc(C(C)(C)C)ccc3n2C(CO)c2ccncc2)C1
InChIInChI=1S/C23H29N3O/c1-23(2,3)17-5-6-20-18(13-17)19-14-25(4)12-9-21(19)26(20)22(15-27)16-7-10-24-11-8-16/h5-8,10-11,13,22,27H,9,12,14-15H2,1-4H3
InChIKeySNSMWYJWTBGLTF-UHFFFAOYSA-N
XLogP3.90
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol with MolForge

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Related Compounds

2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-pyridin-4-ylpropan-1-ol
CID 71007544
2-(8-chloro-1,2,3,4-tetrahydropyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol
CID 123338352
5-(5,5-dimethyl-2-pyridin-4-ylhexyl)-2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 151443430
tert-butyl 3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanoate;methane
CID 158497005
N-tert-butyl-3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylpropanamide;methane
CID 162051484
2-methyl-5-(2-pyridin-4-ylethenyl)-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 91037261
3-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-N,N-dimethyl-2-pyridin-4-ylpropanamide
CID 71275661
2-(2,8-dimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-1-phenyl-1-pyridin-4-ylethanol
CID 50943981
2-[2-[2-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl]-4-pyridinyl]ethanol
CID 123708976
8-fluoro-5-[2-(4-fluorophenyl)-2-methylpropyl]-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 71141014
2,8-dimethyl-5-[(E)-2-pyridin-4-ylbut-1-enyl]-3,4-dihydro-1H-pyrido[4,3-b]indole
CID 59455070
8-fluoro-2-methyl-5-pyridin-4-yl-3,4-dihydro-1H-pyrido[4,3-b]indole;dihydrochloride
CID 44613059

Frequently Asked Questions

What is the IUPAC name of 2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol?
The IUPAC name of 2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol (CID 123794847) is 2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol.
What is the SMILES notation for 2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol?
The canonical SMILES for 2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol is CN1CCc2c(c3cc(C(C)(C)C)ccc3n2C(CO)c2ccncc2)C1.
What is the InChIKey of 2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol?
The InChIKey is SNSMWYJWTBGLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-23(2,3)17-5-6-20-18(13-17)19-14-25(4)12-9-21(19)26(20)22(15-27)16-7-10-24-11-8-16/h5-8,10-11,13,22,27H,9,12,14-15H2,1-4H3.
What are the key properties of 2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol?
2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol has a molecular weight of 363.51 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-tert-butyl-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)-2-pyridin-4-ylethanol is sourced from PubChem (CID 123794847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).