2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine

C15H19FN4O — CID 75410556

IUPAC2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine
SMILESF[C@@H]1CN(C2CCC2)C[C@@H]1OCc1nc2ncccc2[nH]1
InChIInChI=1S/C15H19FN4O/c16-11-7-20(10-3-1-4-10)8-13(11)21-9-14-18-12-5-2-6-17-15(12)19-14/h2,5-6,10-11,13H,1,3-4,7-9H2,(H,17,18,19)/t11-,13+/m1/s1
InChIKeyMUSVYNZABMFTTQ-YPMHNXCESA-N
MW290.34 g/mol
LogP2.05
Rot. Bonds4

About 2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine

2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 75410556) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID75410556
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine
SMILESF[C@@H]1CN(C2CCC2)C[C@@H]1OCc1nc2ncccc2[nH]1
InChIInChI=1S/C15H19FN4O/c16-11-7-20(10-3-1-4-10)8-13(11)21-9-14-18-12-5-2-6-17-15(12)19-14/h2,5-6,10-11,13H,1,3-4,7-9H2,(H,17,18,19)/t11-,13+/m1/s1
InChIKeyMUSVYNZABMFTTQ-YPMHNXCESA-N
XLogP2.05
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine with MolForge

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Related Compounds

6-(6-(difluoromethyl)imidazo[1,2-a]pyridin-3-yl)-N-((3S,4S)-4-methoxypyrrolidin-3-yl)pyridin-2-amine
CID 166961813
9-(3-fluorophenyl)-N-(1H-imidazol-2-ylmethyl)-2-morpholin-4-ylpurin-6-amine
CID 145973036
2-(5-methyl-1H-imidazol-4-yl)-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyridin-3-amine
CID 154620317
3H-Imidazo(4,5-b)pyridine-2-propanamine, N,N-dimethyl-3-(2-ethoxyethyl)-
CID 3076961
3H-Imidazo(4,5-b)pyridine-2-ethanamine, N,N-dimethyl-3-(2-ethoxyethyl)-
CID 3076962
2-[[(3S,4R)-4-fluoro-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]oxymethyl]-1H-benzimidazole
CID 75410592
2-[[(3S,4R)-4-fluoro-1-[(1-methylindol-3-yl)methyl]pyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine
CID 75410565
6-[(3R,4S)-3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)methoxy]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 75410778
6-morpholin-4-yl-N-pyridin-3-yl-7H-purin-2-amine
CID 145951051
2-(pyrrolidin-3-yl)-3H-imidazo[4,5-b]pyridine
CID 63032699
2-(1H-pyrrol-2-yl)-1H-imidazo[4,5-b]pyridine
CID 67259918
6-bromo-N-(2-methoxyethyl)-2-(2-methyl-1H-imidazol-5-yl)imidazo[1,2-a]pyridin-3-amine
CID 155534293

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine (CID 75410556) is 2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine is F[C@@H]1CN(C2CCC2)C[C@@H]1OCc1nc2ncccc2[nH]1.
What is the InChIKey of 2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is MUSVYNZABMFTTQ-YPMHNXCESA-N. The full InChI is InChI=1S/C15H19FN4O/c16-11-7-20(10-3-1-4-10)8-13(11)21-9-14-18-12-5-2-6-17-15(12)19-14/h2,5-6,10-11,13H,1,3-4,7-9H2,(H,17,18,19)/t11-,13+/m1/s1.
What are the key properties of 2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine?
2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 290.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S,4R)-1-cyclobutyl-4-fluoropyrrolidin-3-yl]oxymethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 75410556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).