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

C17H25N5 — CID 117163215

IUPAC3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCC(n2c(CC3CCCN3)nc3cccnc32)CC1
InChIInChI=1S/C17H25N5/c1-21-10-6-14(7-11-21)22-16(12-13-4-2-8-18-13)20-15-5-3-9-19-17(15)22/h3,5,9,13-14,18H,2,4,6-8,10-12H2,1H3
InChIKeyTWSKSPCUWXETJL-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.99
Rot. Bonds3

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

3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163215) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163215
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCN1CCC(n2c(CC3CCCN3)nc3cccnc32)CC1
InChIInChI=1S/C17H25N5/c1-21-10-6-14(7-11-21)22-16(12-13-4-2-8-18-13)20-15-5-3-9-19-17(15)22/h3,5,9,13-14,18H,2,4,6-8,10-12H2,1H3
InChIKeyTWSKSPCUWXETJL-UHFFFAOYSA-N
XLogP1.99
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117163186
3-cyclopentyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 117161718
3-(oxan-2-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163310
2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161555
3-(1-methylpiperidin-4-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163204
3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165622
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163191
2-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117163216
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
4-[[2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117163423
3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163804

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163215) is 3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine is CN1CCC(n2c(CC3CCCN3)nc3cccnc32)CC1.
What is the InChIKey of 3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is TWSKSPCUWXETJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-21-10-6-14(7-11-21)22-16(12-13-4-2-8-18-13)20-15-5-3-9-19-17(15)22/h3,5,9,13-14,18H,2,4,6-8,10-12H2,1H3.
What are the key properties of 3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 299.42 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).