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

C16H23N5 — CID 117163234

IUPAC2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCN1)n2CC1CCNC1
InChIInChI=1S/C16H23N5/c1-3-13(18-6-1)9-15-20-14-4-2-7-19-16(14)21(15)11-12-5-8-17-10-12/h2,4,7,12-13,17-18H,1,3,5-6,8-11H2
InChIKeyZNGFHQLMGWEMRJ-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.34
Rot. Bonds4

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

2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163234) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163234
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCN1)n2CC1CCNC1
InChIInChI=1S/C16H23N5/c1-3-13(18-6-1)9-15-20-14-4-2-7-19-16(14)21(15)11-12-5-8-17-10-12/h2,4,7,12-13,17-18H,1,3,5-6,8-11H2
InChIKeyZNGFHQLMGWEMRJ-UHFFFAOYSA-N
XLogP1.34
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(piperidin-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161603
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163643
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834
4-[[2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117163423
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161227
3-pyrrolidin-2-yl-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161180
3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163416
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161232
3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161542
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117163234) is 2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCCN1)n2CC1CCNC1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is ZNGFHQLMGWEMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-13(18-6-1)9-15-20-14-4-2-7-19-16(14)21(15)11-12-5-8-17-10-12/h2,4,7,12-13,17-18H,1,3,5-6,8-11H2.
What are the key properties of 2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine?
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 285.39 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).