6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline

C17H17N3 — CID 175819836

IUPAC6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1c[nH]c2ncc(-c3ccc4c(c3)CCNC4)cc12
InChIInChI=1S/C17H17N3/c1-11-8-19-17-16(11)7-15(10-20-17)12-2-3-14-9-18-5-4-13(14)6-12/h2-3,6-8,10,18H,4-5,9H2,1H3,(H,19,20)
InChIKeyLLLIQFXWTSISIZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.18
Rot. Bonds1

About 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline

6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 175819836) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID175819836
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1c[nH]c2ncc(-c3ccc4c(c3)CCNC4)cc12
InChIInChI=1S/C17H17N3/c1-11-8-19-17-16(11)7-15(10-20-17)12-2-3-14-9-18-5-4-13(14)6-12/h2-3,6-8,10,18H,4-5,9H2,1H3,(H,19,20)
InChIKeyLLLIQFXWTSISIZ-UHFFFAOYSA-N
XLogP3.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,2,3,4-tetrahydroisoquinoline
CID 166509629
3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine
CID 175819903
4-(1,2,3,4-tetrahydroisoquinolin-6-yl)-1,2-oxazole
CID 166525760
3-methyl-5-(8-pyrrolidin-3-yl-3,4-dihydro-1H-isochromen-6-yl)-1H-pyrrolo[2,3-b]pyridine
CID 177072471
(3R)-3-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-isochromen-8-yl]morpholine
CID 170022165
3-methyl-5-[8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isochromen-6-yl]-1H-pyrrolo[2,3-b]pyridine
CID 164912704
(2S)-1-[4-deuterio-6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dihydroisoindol-2-yl]-3,3,3-trifluoro-2-hydroxy-2-methylpropan-1-one
CID 175915772
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 144735542
7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline
CID 170022018
5-[7-methyl-7-(2-methylpyrrolidin-1-yl)-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl]-3-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridine
CID 166137839
5-(1,2,3,4-tetrahydroisoquinolin-6-yl)pyrimidine-2,4-diamine;hydrochloride
CID 175909095

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline (CID 175819836) is 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline is Cc1c[nH]c2ncc(-c3ccc4c(c3)CCNC4)cc12.
What is the InChIKey of 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LLLIQFXWTSISIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-11-8-19-17-16(11)7-15(10-20-17)12-2-3-14-9-18-5-4-13(14)6-12/h2-3,6-8,10,18H,4-5,9H2,1H3,(H,19,20).
What are the key properties of 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline?
6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 263.34 g/mol, XLogP of 3.18, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 175819836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).