3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine

C18H17ClFN3O — CID 66562977

IUPAC3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine
SMILESFc1ccc(OC2CC(NCc3cccn4ccnc34)C2)cc1Cl
InChIInChI=1S/C18H17ClFN3O/c19-16-10-14(3-4-17(16)20)24-15-8-13(9-15)22-11-12-2-1-6-23-7-5-21-18(12)23/h1-7,10,13,15,22H,8-9,11H2
InChIKeyKLUMPPXWLWZXCH-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.83
Rot. Bonds5

About 3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine

3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine (PubChem CID 66562977) has the molecular formula C18H17ClFN3O and a molecular weight of 345.81 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine
PubChem CID66562977
Molecular FormulaC18H17ClFN3O
Molecular Weight345.81 g/mol
Exact Mass345.10
IUPAC Name3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine
SMILESFc1ccc(OC2CC(NCc3cccn4ccnc34)C2)cc1Cl
InChIInChI=1S/C18H17ClFN3O/c19-16-10-14(3-4-17(16)20)24-15-8-13(9-15)22-11-12-2-1-6-23-7-5-21-18(12)23/h1-7,10,13,15,22H,8-9,11H2
InChIKeyKLUMPPXWLWZXCH-UHFFFAOYSA-N
XLogP3.83
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine?
The IUPAC name of 3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine (CID 66562977) is 3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine?
The canonical SMILES for 3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine is Fc1ccc(OC2CC(NCc3cccn4ccnc34)C2)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine?
The InChIKey is KLUMPPXWLWZXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClFN3O/c19-16-10-14(3-4-17(16)20)24-15-8-13(9-15)22-11-12-2-1-6-23-7-5-21-18(12)23/h1-7,10,13,15,22H,8-9,11H2.
What are the key properties of 3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine?
3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine has a molecular weight of 345.81 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenoxy)-N-(imidazo[1,2-a]pyridin-8-ylmethyl)cyclobutan-1-amine is sourced from PubChem (CID 66562977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).