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

C13H15N3 — CID 175819903

IUPAC3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncc(C3=CCCCN3)cc12
InChIInChI=1S/C13H15N3/c1-9-7-15-13-11(9)6-10(8-16-13)12-4-2-3-5-14-12/h4,6-8,14H,2-3,5H2,1H3,(H,15,16)
InChIKeyBDQNWLSFHHPEQR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.60
Rot. Bonds1

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

3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 175819903) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID175819903
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESCc1c[nH]c2ncc(C3=CCCCN3)cc12
InChIInChI=1S/C13H15N3/c1-9-7-15-13-11(9)6-10(8-16-13)12-4-2-3-5-14-12/h4,6-8,14H,2-3,5H2,1H3,(H,15,16)
InChIKeyBDQNWLSFHHPEQR-UHFFFAOYSA-N
XLogP2.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,2,3,4-tetrahydroisoquinoline
CID 175819836
5-bromo-3-methyl-1H-pyrrolo[2,3-b]pyridine;ethane
CID 145223715
7-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-piperidin-2-ylisoquinoline
CID 170022018
6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-8-pyrrolidin-2-ylquinoline
CID 170022006
3-methyl-5-[8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isochromen-6-yl]-1H-pyrrolo[2,3-b]pyridine
CID 164912704
(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)oxyboronic acid
CID 174160474
(3R)-3-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-isochromen-8-yl]morpholine
CID 170022165
5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238861
3-methyl-5-(8-pyrrolidin-3-yl-3,4-dihydro-1H-isochromen-6-yl)-1H-pyrrolo[2,3-b]pyridine
CID 177072471
6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-2-(oxan-4-ylmethyl)-8-[(2S)-pyrrolidin-2-yl]-3,4-dihydro-1H-isoquinoline
CID 164913166
N,N-dimethyl-1-[6-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3,4-dihydro-1H-pyrano[3,4-c]pyridin-8-yl]methanamine
CID 164912862
ethane;2-fluoro-N-[3-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 144735542

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine (CID 175819903) is 3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine is Cc1c[nH]c2ncc(C3=CCCCN3)cc12.
What is the InChIKey of 3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BDQNWLSFHHPEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-9-7-15-13-11(9)6-10(8-16-13)12-4-2-3-5-14-12/h4,6-8,14H,2-3,5H2,1H3,(H,15,16).
What are the key properties of 3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine?
3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 213.28 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1,2,3,4-tetrahydropyridin-6-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 175819903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).