7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine

C19H13ClFN5O — CID 163287426

IUPAC7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESFc1ccc(Cl)cc1-c1cc2c(cn1)OCCN2c1ccnc2nc[nH]c12
InChIInChI=1S/C19H13ClFN5O/c20-11-1-2-13(21)12(7-11)14-8-16-17(9-23-14)27-6-5-26(16)15-3-4-22-19-18(15)24-10-25-19/h1-4,7-10H,5-6H2,(H,22,24,25)
InChIKeyLBROUTJAFMTLDC-UHFFFAOYSA-N
MW381.80 g/mol
LogP4.34
Rot. Bonds2

About 7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine

7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine (PubChem CID 163287426) has the molecular formula C19H13ClFN5O and a molecular weight of 381.80 g/mol. Its IUPAC name is 7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
PubChem CID163287426
Molecular FormulaC19H13ClFN5O
Molecular Weight381.80 g/mol
Exact Mass381.08
IUPAC Name7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESFc1ccc(Cl)cc1-c1cc2c(cn1)OCCN2c1ccnc2nc[nH]c12
InChIInChI=1S/C19H13ClFN5O/c20-11-1-2-13(21)12(7-11)14-8-16-17(9-23-14)27-6-5-26(16)15-3-4-22-19-18(15)24-10-25-19/h1-4,7-10H,5-6H2,(H,22,24,25)
InChIKeyLBROUTJAFMTLDC-UHFFFAOYSA-N
XLogP4.34
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.80
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The IUPAC name of 7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine (CID 163287426) is 7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for 7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The canonical SMILES for 7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine is Fc1ccc(Cl)cc1-c1cc2c(cn1)OCCN2c1ccnc2nc[nH]c12.
What is the InChIKey of 7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The InChIKey is LBROUTJAFMTLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN5O/c20-11-1-2-13(21)12(7-11)14-8-16-17(9-23-14)27-6-5-26(16)15-3-4-22-19-18(15)24-10-25-19/h1-4,7-10H,5-6H2,(H,22,24,25).
What are the key properties of 7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine has a molecular weight of 381.80 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-fluorophenyl)-1-(1H-imidazo[4,5-b]pyridin-7-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 163287426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).