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

C15H16N4S — CID 75131770

IUPAC2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESc1csc(CN2CCC(c3nc4ncccc4[nH]3)C2)c1
InChIInChI=1S/C15H16N4S/c1-4-13-15(16-6-1)18-14(17-13)11-5-7-19(9-11)10-12-3-2-8-20-12/h1-4,6,8,11H,5,7,9-10H2,(H,16,17,18)
InChIKeyHBIKQNYIGLALQK-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.01
Rot. Bonds3

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

2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine (PubChem CID 75131770) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
PubChem CID75131770
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
SMILESc1csc(CN2CCC(c3nc4ncccc4[nH]3)C2)c1
InChIInChI=1S/C15H16N4S/c1-4-13-15(16-6-1)18-14(17-13)11-5-7-19(9-11)10-12-3-2-8-20-12/h1-4,6,8,11H,5,7,9-10H2,(H,16,17,18)
InChIKeyHBIKQNYIGLALQK-UHFFFAOYSA-N
XLogP3.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(3S)-3-(1H-imidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methyl]-N,N-dimethylaniline
CID 51137037
2-[1-(cyclohexylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine
CID 75615034
2-(1-benzylpiperidin-4-yl)-1H-imidazo[4,5-b]pyridine
CID 141272197
3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191350
1,4-dimethyl-2-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazole
CID 124959858
2-benzyl-5-[(3S)-1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 51137403
3-[5-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazol-3-yl]pyridine
CID 53192083
2-[1-(3,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 155902800
2-methyl-6-[1-(thiophen-2-ylmethyl)piperidin-4-yl]pyrazine
CID 125019406
6-fluoro-2-[1-(thiophen-2-ylmethyl)piperidin-3-yl]-3H-quinazolin-4-one
CID 137299508
N-methyl-1-(thiophen-2-ylmethyl)pyrrolidin-3-amine
CID 60861984
3-(chloromethyl)-1-(thiophen-2-ylmethyl)pyrrolidine
CID 63388749

Frequently Asked Questions

What is the IUPAC name of 2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine (CID 75131770) is 2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine is c1csc(CN2CCC(c3nc4ncccc4[nH]3)C2)c1.
What is the InChIKey of 2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is HBIKQNYIGLALQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-4-13-15(16-6-1)18-14(17-13)11-5-7-19(9-11)10-12-3-2-8-20-12/h1-4,6,8,11H,5,7,9-10H2,(H,16,17,18).
What are the key properties of 2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine?
2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 284.39 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 75131770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).