6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine

C19H14ClFN6O — CID 162441572

IUPAC6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3nc[nH]c23)c2c(n1)NCCO2
InChIInChI=1S/C19H14ClFN6O/c20-10-1-2-12(21)11(7-10)14-8-15(17-19(27-14)23-5-6-28-17)26-13-3-4-22-18-16(13)24-9-25-18/h1-4,7-9H,5-6H2,(H3,22,23,24,25,26,27)
InChIKeyKEKGIGIADFVEQD-UHFFFAOYSA-N
MW396.81 g/mol
LogP4.36
Rot. Bonds3

About 6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine

6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine (PubChem CID 162441572) has the molecular formula C19H14ClFN6O and a molecular weight of 396.81 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine
PubChem CID162441572
Molecular FormulaC19H14ClFN6O
Molecular Weight396.81 g/mol
Exact Mass396.09
IUPAC Name6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine
SMILESFc1ccc(Cl)cc1-c1cc(Nc2ccnc3nc[nH]c23)c2c(n1)NCCO2
InChIInChI=1S/C19H14ClFN6O/c20-10-1-2-12(21)11(7-10)14-8-15(17-19(27-14)23-5-6-28-17)26-13-3-4-22-18-16(13)24-9-25-18/h1-4,7-9H,5-6H2,(H3,22,23,24,25,26,27)
InChIKeyKEKGIGIADFVEQD-UHFFFAOYSA-N
XLogP4.36
TPSA87.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.81
LogP ≤ 54.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine (CID 162441572) is 6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine is Fc1ccc(Cl)cc1-c1cc(Nc2ccnc3nc[nH]c23)c2c(n1)NCCO2.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine?
The InChIKey is KEKGIGIADFVEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN6O/c20-10-1-2-12(21)11(7-10)14-8-15(17-19(27-14)23-5-6-28-17)26-13-3-4-22-18-16(13)24-9-25-18/h1-4,7-9H,5-6H2,(H3,22,23,24,25,26,27).
What are the key properties of 6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine?
6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine has a molecular weight of 396.81 g/mol, XLogP of 4.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorophenyl)-N-(1H-imidazo[4,5-b]pyridin-7-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazin-8-amine is sourced from PubChem (CID 162441572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).