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

C15H15ClN4S — CID 117164361

IUPAC2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESClc1ccc(-c2nc3cccnc3n2CC2CCCN2)s1
InChIInChI=1S/C15H15ClN4S/c16-13-6-5-12(21-13)15-19-11-4-2-8-18-14(11)20(15)9-10-3-1-7-17-10/h2,4-6,8,10,17H,1,3,7,9H2
InChIKeyRAZGMAJDYGMNBN-UHFFFAOYSA-N
MW318.83 g/mol
LogP3.57
Rot. Bonds3

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

2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117164361) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117164361
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC Name2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESClc1ccc(-c2nc3cccnc3n2CC2CCCN2)s1
InChIInChI=1S/C15H15ClN4S/c16-13-6-5-12(21-13)15-19-11-4-2-8-18-14(11)20(15)9-10-3-1-7-17-10/h2,4-6,8,10,17H,1,3,7,9H2
InChIKeyRAZGMAJDYGMNBN-UHFFFAOYSA-N
XLogP3.57
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chlorofuran-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164355
2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117164334
2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117164249
2-propan-2-yl-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117166413
2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161910
3-(piperidin-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161603
4-[[2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117163423
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161232
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234
3-[[(2S)-pyrrolidin-2-yl]methyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 102819817
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163643
3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164349

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117164361) is 2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine is Clc1ccc(-c2nc3cccnc3n2CC2CCCN2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is RAZGMAJDYGMNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c16-13-6-5-12(21-13)15-19-11-4-2-8-18-14(11)20(15)9-10-3-1-7-17-10/h2,4-6,8,10,17H,1,3,7,9H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine?
2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 318.83 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).