3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine

C15H22N4 — CID 117162586

IUPAC3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC1c1nc2cccnc2n1C(C)(C)C
InChIInChI=1S/C15H22N4/c1-15(2,3)19-13-11(7-5-9-16-13)17-14(19)12-8-6-10-18(12)4/h5,7,9,12H,6,8,10H2,1-4H3
InChIKeyOIDYRNXAQNGQMA-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.95
Rot. Bonds1

About 3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine

3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162586) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162586
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC1c1nc2cccnc2n1C(C)(C)C
InChIInChI=1S/C15H22N4/c1-15(2,3)19-13-11(7-5-9-16-13)17-14(19)12-8-6-10-18(12)4/h5,7,9,12H,6,8,10H2,1-4H3
InChIKeyOIDYRNXAQNGQMA-UHFFFAOYSA-N
XLogP2.95
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopropyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162666
2,3-bis(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162335
3-cyclopentyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162679
3-(2,2-dimethylpropyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117163017
2-(1-methylpyrrolidin-2-yl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 117162694
3-(4-methylphenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162652
2-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162334
2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162437
2-(1-methylpiperidin-2-yl)-3-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117162978
3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160933
3-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162749
3-(3-chlorophenyl)-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162609

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine (CID 117162586) is 3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is CN1CCCC1c1nc2cccnc2n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is OIDYRNXAQNGQMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-15(2,3)19-13-11(7-5-9-16-13)17-14(19)12-8-6-10-18(12)4/h5,7,9,12H,6,8,10H2,1-4H3.
What are the key properties of 3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine?
3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 258.37 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).