2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine

C21H23N3S — CID 126724722

IUPAC2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine
SMILESCC(C)n1cc2ccc(CC(C)(C)c3cc4cccnc4s3)nc2c1
InChIInChI=1S/C21H23N3S/c1-14(2)24-12-16-7-8-17(23-18(16)13-24)11-21(3,4)19-10-15-6-5-9-22-20(15)25-19/h5-10,12-14H,11H2,1-4H3
InChIKeyHJWOETVWAVOUSL-UHFFFAOYSA-N
MW349.50 g/mol
LogP5.75
Rot. Bonds4

About 2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine

2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine (PubChem CID 126724722) has the molecular formula C21H23N3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine.

Molecular Properties

Compound Name2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine
PubChem CID126724722
Molecular FormulaC21H23N3S
Molecular Weight349.50 g/mol
Exact Mass349.16
IUPAC Name2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine
SMILESCC(C)n1cc2ccc(CC(C)(C)c3cc4cccnc4s3)nc2c1
InChIInChI=1S/C21H23N3S/c1-14(2)24-12-16-7-8-17(23-18(16)13-24)11-21(3,4)19-10-15-6-5-9-22-20(15)25-19/h5-10,12-14H,11H2,1-4H3
InChIKeyHJWOETVWAVOUSL-UHFFFAOYSA-N
XLogP5.75
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.50
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine with MolForge

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Related Compounds

6-tert-butyl-2-(2-methyl-2-quinolin-3-ylpropyl)quinoline
CID 131975391
thieno[2,3-b]pyridin-2-ol
CID 89200152
2-methyl-2-([1,3]thiazolo[5,4-b]pyridin-2-yl)propan-1-amine
CID 115428036
N-methylthieno[2,3-b]pyridin-2-amine
CID 119083689
trimethyl(2-thieno[2,3-b]pyridin-2-ylethynyl)silane
CID 69472098
3-methyl-N-propan-2-yl-3-quinolin-7-ylbutan-1-amine
CID 81222494
2-[1-(2-tert-butyl-[1,3]thiazolo[5,4-b]pyridin-5-yl)-2-methylpropan-2-yl]-[1,3]oxazolo[5,4-b]pyridine
CID 126724348
thieno[2,3-b]pyridine-2-carboxylate
CID 7162094
3-[2-methyl-1-(2-propan-2-yl-1H-imidazo[4,5-b]pyridin-5-yl)propan-2-yl]-[1,2]thiazolo[4,3-b]pyridine
CID 126724350
hydron;thieno[2,3-b]pyridine-2-carboxamide
CID 174476240
2-([1,3]thiazolo[5,4-b]pyridin-2-yl)pentan-2-amine
CID 65335738
5-[4-methyl-4-(5-propan-2-yl-1-benzothiophen-2-yl)pentan-2-yl]-2-propan-2-ylthieno[2,3-b]pyridine
CID 170184963

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine?
The IUPAC name of 2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine (CID 126724722) is 2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine.
What is the SMILES notation for 2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine?
The canonical SMILES for 2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine is CC(C)n1cc2ccc(CC(C)(C)c3cc4cccnc4s3)nc2c1.
What is the InChIKey of 2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine?
The InChIKey is HJWOETVWAVOUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3S/c1-14(2)24-12-16-7-8-17(23-18(16)13-24)11-21(3,4)19-10-15-6-5-9-22-20(15)25-19/h5-10,12-14H,11H2,1-4H3.
What are the key properties of 2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine?
2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine has a molecular weight of 349.50 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1-(6-propan-2-ylpyrrolo[3,4-b]pyridin-2-yl)propan-2-yl]thieno[2,3-b]pyridine is sourced from PubChem (CID 126724722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).