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

C13H16N4 — CID 126853049

IUPAC3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine
SMILESC=C1CCCN(c2nc3cccnc3n2C)C1
InChIInChI=1S/C13H16N4/c1-10-5-4-8-17(9-10)13-15-11-6-3-7-14-12(11)16(13)2/h3,6-7H,1,4-5,8-9H2,2H3
InChIKeyGORAHUOUABLJIT-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.12
Rot. Bonds1

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

3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine (PubChem CID 126853049) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine
PubChem CID126853049
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine
SMILESC=C1CCCN(c2nc3cccnc3n2C)C1
InChIInChI=1S/C13H16N4/c1-10-5-4-8-17(9-10)13-15-11-6-3-7-14-12(11)16(13)2/h3,6-7H,1,4-5,8-9H2,2H3
InChIKeyGORAHUOUABLJIT-UHFFFAOYSA-N
XLogP2.12
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidine-4-carboxamide
CID 154582460
2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3-methylimidazo[4,5-b]pyridine
CID 171336182
3-methyl-2-[3-(pyridin-2-yloxymethyl)piperidin-1-yl]imidazo[4,5-b]pyridine
CID 166606161
N-methyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 166602908
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-3-yl]-morpholin-4-ylmethanone
CID 155976019
N,5-dimethyl-N-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]pyrimidin-2-amine
CID 171328764
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
(4,4-difluoropiperidin-1-yl)-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 155976040
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
CID 163358227
[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]-morpholin-4-ylmethanone
CID 163352856
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[1-(3-methylimidazo[4,5-b]pyridin-2-yl)azetidin-3-yl]methanone
CID 172892577
3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162586

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine (CID 126853049) is 3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine is C=C1CCCN(c2nc3cccnc3n2C)C1.
What is the InChIKey of 3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine?
The InChIKey is GORAHUOUABLJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-10-5-4-8-17(9-10)13-15-11-6-3-7-14-12(11)16(13)2/h3,6-7H,1,4-5,8-9H2,2H3.
What are the key properties of 3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine?
3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine has a molecular weight of 228.30 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylidenepiperidin-1-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 126853049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).