2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine

C22H17ClFN3O2 — CID 58402572

IUPAC2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc2c1
InChIInChI=1S/C22H17ClFN3O2/c1-13-7-8-27-19(11-13)26-21(20-15(23)3-2-4-16(20)24)22(27)25-14-5-6-17-18(12-14)29-10-9-28-17/h2-8,11-12,25H,9-10H2,1H3
InChIKeyPESWEJXMVZJCRW-UHFFFAOYSA-N
MW409.85 g/mol
LogP5.62
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine

2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine (PubChem CID 58402572) has the molecular formula C22H17ClFN3O2 and a molecular weight of 409.85 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine
PubChem CID58402572
Molecular FormulaC22H17ClFN3O2
Molecular Weight409.85 g/mol
Exact Mass409.10
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc2c1
InChIInChI=1S/C22H17ClFN3O2/c1-13-7-8-27-19(11-13)26-21(20-15(23)3-2-4-16(20)24)22(27)25-14-5-6-17-18(12-14)29-10-9-28-17/h2-8,11-12,25H,9-10H2,1H3
InChIKeyPESWEJXMVZJCRW-UHFFFAOYSA-N
XLogP5.62
TPSA47.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.85
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine (CID 58402572) is 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine is Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3c(F)cccc3Cl)nc2c1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is PESWEJXMVZJCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClFN3O2/c1-13-7-8-27-19(11-13)26-21(20-15(23)3-2-4-16(20)24)22(27)25-14-5-6-17-18(12-14)29-10-9-28-17/h2-8,11-12,25H,9-10H2,1H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine?
2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 409.85 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 58402572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).