[4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone

C18H15ClN2O2 — CID 66779732

IUPAC[4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cc3nccc(Cl)c3o2)cc1)N1CCCC1
InChIInChI=1S/C18H15ClN2O2/c19-14-7-8-20-15-11-16(23-17(14)15)12-3-5-13(6-4-12)18(22)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2
InChIKeyBSVWBMQVZKPZQH-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.38
Rot. Bonds2

About [4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone

[4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 66779732) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is [4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone
PubChem CID66779732
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name[4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1ccc(-c2cc3nccc(Cl)c3o2)cc1)N1CCCC1
InChIInChI=1S/C18H15ClN2O2/c19-14-7-8-20-15-11-16(23-17(14)15)12-3-5-13(6-4-12)18(22)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2
InChIKeyBSVWBMQVZKPZQH-UHFFFAOYSA-N
XLogP4.38
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-2-(4-methylsulfinylphenyl)furo[3,2-b]pyridine
CID 170785257
[3-[2-(6-methylsulfonyl-3-pyridinyl)furo[3,2-b]pyridin-7-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 170785587
2-chloro-5-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228855
azetidin-1-yl-(2-chloro-4-pyridinyl)methanone
CID 58113908
4-(azepane-1-carbonyl)-N-(2,6-dichlorophenyl)pyridine-2-carboxamide
CID 109090713
4-[6-(pyrrolidine-1-carbonyl)quinolin-4-yl]benzoic acid
CID 142527633
N-(2,6-dichlorophenyl)-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081176
[4-(azocane-1-carbonyl)phenyl]-(azocan-1-yl)methanone
CID 3317192
7-chloro-2-(3-methylphenyl)furo[3,2-b]pyridine
CID 66779659
2-chloro-4-[4-(piperidine-1-carbonyl)phenyl]benzoic acid
CID 53228856
3-(7-chlorofuro[3,2-b]pyridin-2-yl)aniline
CID 66779795
[4-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methylamino]phenyl]-pyrrolidin-1-ylmethanone
CID 134020114

Frequently Asked Questions

What is the IUPAC name of [4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone (CID 66779732) is [4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone is O=C(c1ccc(-c2cc3nccc(Cl)c3o2)cc1)N1CCCC1.
What is the InChIKey of [4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is BSVWBMQVZKPZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-14-7-8-20-15-11-16(23-17(14)15)12-3-5-13(6-4-12)18(22)21-9-1-2-10-21/h3-8,11H,1-2,9-10H2.
What are the key properties of [4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone?
[4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 326.78 g/mol, XLogP of 4.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7-chlorofuro[3,2-b]pyridin-2-yl)phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 66779732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).