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

C19H13ClFN5O — CID 164546070

IUPAC6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cnc3nc[nH]c3c2)c2c(n1)NCCO2
InChIInChI=1S/C19H13ClFN5O/c20-11-1-2-14(21)13(6-11)15-7-12(17-19(26-15)22-3-4-27-17)10-5-16-18(23-8-10)25-9-24-16/h1-2,5-9H,3-4H2,(H,22,26)(H,23,24,25)
InChIKeyVQHLDXMBUYVWNC-UHFFFAOYSA-N
MW381.80 g/mol
LogP4.28
Rot. Bonds2

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

6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (PubChem CID 164546070) has the molecular formula C19H13ClFN5O and a molecular weight of 381.80 g/mol. Its IUPAC name is 6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
PubChem CID164546070
Molecular FormulaC19H13ClFN5O
Molecular Weight381.80 g/mol
Exact Mass381.08
IUPAC Name6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine
SMILESFc1ccc(Cl)cc1-c1cc(-c2cnc3nc[nH]c3c2)c2c(n1)NCCO2
InChIInChI=1S/C19H13ClFN5O/c20-11-1-2-14(21)13(6-11)15-7-12(17-19(26-15)22-3-4-27-17)10-5-16-18(23-8-10)25-9-24-16/h1-2,5-9H,3-4H2,(H,22,26)(H,23,24,25)
InChIKeyVQHLDXMBUYVWNC-UHFFFAOYSA-N
XLogP4.28
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.80
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The IUPAC name of 6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine (CID 164546070) is 6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for 6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The canonical SMILES for 6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is Fc1ccc(Cl)cc1-c1cc(-c2cnc3nc[nH]c3c2)c2c(n1)NCCO2.
What is the InChIKey of 6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
The InChIKey is VQHLDXMBUYVWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5O/c20-11-1-2-14(21)13(6-11)15-7-12(17-19(26-15)22-3-4-27-17)10-5-16-18(23-8-10)25-9-24-16/h1-2,5-9H,3-4H2,(H,22,26)(H,23,24,25).
What are the key properties of 6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine?
6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine has a molecular weight of 381.80 g/mol, XLogP of 4.28, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-fluorophenyl)-8-(1H-imidazo[4,5-b]pyridin-6-yl)-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 164546070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).