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

C12H16N4 — CID 81137336

IUPAC5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(C3CCNC3C)nc2n1
InChIInChI=1S/C12H16N4/c1-7-3-4-10-12(14-7)16-11(15-10)9-5-6-13-8(9)2/h3-4,8-9,13H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyDSAWTCLDODVVFC-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.73
Rot. Bonds1

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

5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 81137336) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine
PubChem CID81137336
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine
SMILESCc1ccc2[nH]c(C3CCNC3C)nc2n1
InChIInChI=1S/C12H16N4/c1-7-3-4-10-12(14-7)16-11(15-10)9-5-6-13-8(9)2/h3-4,8-9,13H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyDSAWTCLDODVVFC-UHFFFAOYSA-N
XLogP1.73
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine (CID 81137336) is 5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine is Cc1ccc2[nH]c(C3CCNC3C)nc2n1.
What is the InChIKey of 5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is DSAWTCLDODVVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-7-3-4-10-12(14-7)16-11(15-10)9-5-6-13-8(9)2/h3-4,8-9,13H,5-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine?
5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 216.29 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylpyrrolidin-3-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 81137336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).