2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine

C14H14N4O — CID 97032980

IUPAC2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESc1coc(-c2nc3cccnc3n2[C@H]2CCNC2)c1
InChIInChI=1S/C14H14N4O/c1-3-11-13(16-6-1)18(10-5-7-15-9-10)14(17-11)12-4-2-8-19-12/h1-4,6,8,10,15H,5,7,9H2/t10-/m0/s1
InChIKeyHPYNBTTVAFTMJI-JTQLQIEISA-N
MW254.29 g/mol
LogP2.23
Rot. Bonds2

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

2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine (PubChem CID 97032980) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine
PubChem CID97032980
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine
SMILESc1coc(-c2nc3cccnc3n2[C@H]2CCNC2)c1
InChIInChI=1S/C14H14N4O/c1-3-11-13(16-6-1)18(10-5-7-15-9-10)14(17-11)12-4-2-8-19-12/h1-4,6,8,10,15H,5,7,9H2/t10-/m0/s1
InChIKeyHPYNBTTVAFTMJI-JTQLQIEISA-N
XLogP2.23
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-3-[(3R)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97032979
[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95108374
(4-bromophenyl)-[3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 87050850
(3R)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]-N-(furan-2-ylmethyl)pyrrolidine-1-carboxamide
CID 95108517
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160680
(1-ethylpyrazol-3-yl)-[(3S)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidin-1-yl]methanone
CID 95108385
N-(2,5-difluorophenyl)-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050933
N-[(3-fluorophenyl)methyl]-3-[2-(furan-2-yl)imidazo[4,5-b]pyridin-3-yl]pyrrolidine-1-carboxamide
CID 87050941
3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117164918
2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164214
2-(furan-2-yl)-3-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117164220
2-(furan-2-yl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164375

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine (CID 97032980) is 2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine is c1coc(-c2nc3cccnc3n2[C@H]2CCNC2)c1.
What is the InChIKey of 2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
The InChIKey is HPYNBTTVAFTMJI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14N4O/c1-3-11-13(16-6-1)18(10-5-7-15-9-10)14(17-11)12-4-2-8-19-12/h1-4,6,8,10,15H,5,7,9H2/t10-/m0/s1.
What are the key properties of 2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine?
2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine has a molecular weight of 254.29 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 97032980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).