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

C20H14ClFN4O — CID 162441392

IUPAC7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESFc1ccc(Cl)cc1-c1cc2c(cn1)OCCN2c1ccnc2[nH]ccc12
InChIInChI=1S/C20H14ClFN4O/c21-12-1-2-15(22)14(9-12)16-10-18-19(11-25-16)27-8-7-26(18)17-4-6-24-20-13(17)3-5-23-20/h1-6,9-11H,7-8H2,(H,23,24)
InChIKeyVZBWDHLVWPQRRX-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.95
Rot. Bonds2

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

7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine (PubChem CID 162441392) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is 7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine.

Molecular Properties

Compound Name7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
PubChem CID162441392
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC Name7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine
SMILESFc1ccc(Cl)cc1-c1cc2c(cn1)OCCN2c1ccnc2[nH]ccc12
InChIInChI=1S/C20H14ClFN4O/c21-12-1-2-15(22)14(9-12)16-10-18-19(11-25-16)27-8-7-26(18)17-4-6-24-20-13(17)3-5-23-20/h1-6,9-11H,7-8H2,(H,23,24)
InChIKeyVZBWDHLVWPQRRX-UHFFFAOYSA-N
XLogP4.95
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The IUPAC name of 7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine (CID 162441392) is 7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine.
What is the SMILES notation for 7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The canonical SMILES for 7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine is Fc1ccc(Cl)cc1-c1cc2c(cn1)OCCN2c1ccnc2[nH]ccc12.
What is the InChIKey of 7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
The InChIKey is VZBWDHLVWPQRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c21-12-1-2-15(22)14(9-12)16-10-18-19(11-25-16)27-8-7-26(18)17-4-6-24-20-13(17)3-5-23-20/h1-6,9-11H,7-8H2,(H,23,24).
What are the key properties of 7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine?
7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine has a molecular weight of 380.81 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-chloro-2-fluorophenyl)-1-(1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrido[3,4-b][1,4]oxazine is sourced from PubChem (CID 162441392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).