3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine

C12H16N2 — CID 165091624

IUPAC3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine
SMILESCC1=NCc2ncc(C(C)(C)C)cc21
InChIInChI=1S/C12H16N2/c1-8-10-5-9(12(2,3)4)6-14-11(10)7-13-8/h5-6H,7H2,1-4H3
InChIKeyHPFTVHZNNAYXLT-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.70
Rot. Bonds

About 3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine

3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine (PubChem CID 165091624) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine
PubChem CID165091624
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine
SMILESCC1=NCc2ncc(C(C)(C)C)cc21
InChIInChI=1S/C12H16N2/c1-8-10-5-9(12(2,3)4)6-14-11(10)7-13-8/h5-6H,7H2,1-4H3
InChIKeyHPFTVHZNNAYXLT-UHFFFAOYSA-N
XLogP2.70
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-tert-butyl-7H-pyrrolo[3,4-b]pyridine-5-carboxamide
CID 160742550
5-tert-butyl-2-chloro-3-methylpyridine
CID 56974537
5-tert-butyl-3H-pyrazolo[3,4-b]pyridine;ethane
CID 159272959
3-fluoro-N-(3-methyl-1H-isoindol-5-yl)-7H-pyrrolo[3,4-b]pyridin-5-amine
CID 161472826
2-tert-butyl-5,6-dihydro-[1]benzoxepino[3,2-b]pyridine
CID 134215019
(3-tert-butyl-7-oxo-8H-quinolin-5-yl) 2,2-dimethylpropanoate
CID 59151694
5-tert-butyl-2-methyl-3-propan-2-ylpyridine
CID 58861335
5-tert-butyl-2-fluoro-3-phenylpyridine
CID 165372109
3-[6-(2,3-dihydroindol-1-yl)pyrazin-2-yl]-5-methyl-7H-pyrrolo[3,4-b]pyridine
CID 152855482
5-tert-butyl-2-(triiodomethyl)pyrimidine
CID 139452583
3-(7-tert-butyl-3-methylquinoxalin-5-yl)-6-methyl-1H-pyridin-2-one
CID 141431490
6-tert-butyl-2-methylidene-3-propan-2-ylpyrido[3,2-e][1,3]oxazin-4-one
CID 59802680

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine?
The IUPAC name of 3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine (CID 165091624) is 3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine.
What is the SMILES notation for 3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine?
The canonical SMILES for 3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine is CC1=NCc2ncc(C(C)(C)C)cc21.
What is the InChIKey of 3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine?
The InChIKey is HPFTVHZNNAYXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-8-10-5-9(12(2,3)4)6-14-11(10)7-13-8/h5-6H,7H2,1-4H3.
What are the key properties of 3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine?
3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine has a molecular weight of 188.27 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-methyl-7H-pyrrolo[3,4-b]pyridine is sourced from PubChem (CID 165091624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).