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

C16H24N4 — CID 117161667

IUPAC3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
SMILESCC(C)N1CCC(Cc2nc3cccnc3n2C)CC1
InChIInChI=1S/C16H24N4/c1-12(2)20-9-6-13(7-10-20)11-15-18-14-5-4-8-17-16(14)19(15)3/h4-5,8,12-13H,6-7,9-11H2,1-3H3
InChIKeyFIOMVFYSWHHFCA-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.63
Rot. Bonds3

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

3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117161667) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117161667
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
SMILESCC(C)N1CCC(Cc2nc3cccnc3n2C)CC1
InChIInChI=1S/C16H24N4/c1-12(2)20-9-6-13(7-10-20)11-15-18-14-5-4-8-17-16(14)19(15)3/h4-5,8,12-13H,6-7,9-11H2,1-3H3
InChIKeyFIOMVFYSWHHFCA-UHFFFAOYSA-N
XLogP2.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
2-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117164029
2-(fluoromethyl)-3-methylimidazo[4,5-b]pyridine
CID 141030581
methyl 3-[[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidine-1-carbonyl]amino]propanoate
CID 53194516
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]cyclopentanamine
CID 63756238
1-[(3R)-3-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
CID 97429167
N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]cyclopropanamine
CID 63756601
N-[2-(3-methylimidazo[4,5-b]pyridin-2-yl)ethyl]propan-2-amine
CID 63756762
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
CID 117161335
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
2-(3-methoxyphenyl)-1-[(3S)-3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 95112419
2-(3-chlorophenoxy)-1-[3-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]ethanone
CID 83275804

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine (CID 117161667) is 3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine is CC(C)N1CCC(Cc2nc3cccnc3n2C)CC1.
What is the InChIKey of 3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is FIOMVFYSWHHFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-12(2)20-9-6-13(7-10-20)11-15-18-14-5-4-8-17-16(14)19(15)3/h4-5,8,12-13H,6-7,9-11H2,1-3H3.
What are the key properties of 3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine?
3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 272.40 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).