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

C18H26N4 — CID 117161718

IUPAC3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCC(Cc2nc3cccnc3n2C2CCCC2)CC1
InChIInChI=1S/C18H26N4/c1-21-11-8-14(9-12-21)13-17-20-16-7-4-10-19-18(16)22(17)15-5-2-3-6-15/h4,7,10,14-15H,2-3,5-6,8-9,11-13H2,1H3
InChIKeyPZPGQCIEGKTLNR-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.43
Rot. Bonds3

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

3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117161718) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117161718
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCC(Cc2nc3cccnc3n2C2CCCC2)CC1
InChIInChI=1S/C18H26N4/c1-21-11-8-14(9-12-21)13-17-20-16-7-4-10-19-18(16)22(17)15-5-2-3-6-15/h4,7,10,14-15H,2-3,5-6,8-9,11-13H2,1H3
InChIKeyPZPGQCIEGKTLNR-UHFFFAOYSA-N
XLogP3.43
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161555
3-(1-methylpiperidin-3-yl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161161
3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161554
3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163215
2-[(1-methylpyrrolidin-3-yl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117161203
3-(1-methylpiperidin-4-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163204
4-[(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)methyl]thiane 1,1-dioxide
CID 117161703
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165622
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163191
3-cyclopentyl-2-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163544

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine (CID 117161718) is 3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine is CN1CCC(Cc2nc3cccnc3n2C2CCCC2)CC1.
What is the InChIKey of 3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is PZPGQCIEGKTLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-21-11-8-14(9-12-21)13-17-20-16-7-4-10-19-18(16)22(17)15-5-2-3-6-15/h4,7,10,14-15H,2-3,5-6,8-9,11-13H2,1H3.
What are the key properties of 3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine?
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 298.43 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).