3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine

C18H27N5 — CID 117161937

IUPAC3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
SMILESCN1CCCCC1Cn1c(C2CCCNC2)nc2cccnc21
InChIInChI=1S/C18H27N5/c1-22-11-3-2-7-15(22)13-23-17(14-6-4-9-19-12-14)21-16-8-5-10-20-18(16)23/h5,8,10,14-15,19H,2-4,6-7,9,11-13H2,1H3
InChIKeyPRMGSVIPIDVGQC-UHFFFAOYSA-N
MW313.45 g/mol
LogP2.38
Rot. Bonds3

About 3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine

3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine (PubChem CID 117161937) has the molecular formula C18H27N5 and a molecular weight of 313.45 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
PubChem CID117161937
Molecular FormulaC18H27N5
Molecular Weight313.45 g/mol
Exact Mass313.23
IUPAC Name3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
SMILESCN1CCCCC1Cn1c(C2CCCNC2)nc2cccnc21
InChIInChI=1S/C18H27N5/c1-22-11-3-2-7-15(22)13-23-17(14-6-4-9-19-12-14)21-16-8-5-10-20-18(16)23/h5,8,10,14-15,19H,2-4,6-7,9,11-13H2,1H3
InChIKeyPRMGSVIPIDVGQC-UHFFFAOYSA-N
XLogP2.38
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
3-methyl-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 63757632
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160291
2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294737
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161911
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161227
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907
2-(furan-2-yl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164375
3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161854
3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161994
2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160831
4-[2-(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)ethyl]morpholine
CID 117160602

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine (CID 117161937) is 3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine is CN1CCCCC1Cn1c(C2CCCNC2)nc2cccnc21.
What is the InChIKey of 3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine?
The InChIKey is PRMGSVIPIDVGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5/c1-22-11-3-2-7-15(22)13-23-17(14-6-4-9-19-12-14)21-16-8-5-10-20-18(16)23/h5,8,10,14-15,19H,2-4,6-7,9,11-13H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine?
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine has a molecular weight of 313.45 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117161937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).