2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine

C16H17ClN4O — CID 117164356

IUPAC2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCCC1Cn1c(-c2ccc(Cl)o2)nc2cccnc21
InChIInChI=1S/C16H17ClN4O/c1-20-9-3-4-11(20)10-21-15-12(5-2-8-18-15)19-16(21)13-6-7-14(17)22-13/h2,5-8,11H,3-4,9-10H2,1H3
InChIKeyVINSFQDTPYKJDJ-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.44
Rot. Bonds3

About 2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine

2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117164356) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117164356
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCN1CCCC1Cn1c(-c2ccc(Cl)o2)nc2cccnc21
InChIInChI=1S/C16H17ClN4O/c1-20-9-3-4-11(20)10-21-15-12(5-2-8-18-15)19-16(21)13-6-7-14(17)22-13/h2,5-8,11H,3-4,9-10H2,1H3
InChIKeyVINSFQDTPYKJDJ-UHFFFAOYSA-N
XLogP3.44
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-methylfuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164354
2-(furan-2-yl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117164375
2-(5-chlorofuran-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164355
2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294737
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161911
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine
CID 117164362
3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
2-(5-chlorofuran-2-yl)-3-(furan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164651
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161227
2-(5-chlorofuran-2-yl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117164183
2-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163166

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine (CID 117164356) is 2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine is CN1CCCC1Cn1c(-c2ccc(Cl)o2)nc2cccnc21.
What is the InChIKey of 2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is VINSFQDTPYKJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-20-9-3-4-11(20)10-21-15-12(5-2-8-18-15)19-16(21)13-6-7-14(17)22-13/h2,5-8,11H,3-4,9-10H2,1H3.
What are the key properties of 2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 316.79 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)-3-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).