2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

C18H14FN5O — CID 162760676

IUPAC2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(-c2nn3c(c2-c2ccnc4[nH]ccc24)COCC3)nc1
InChIInChI=1S/C18H14FN5O/c19-11-1-2-14(22-9-11)17-16(15-10-25-8-7-24(15)23-17)12-3-5-20-18-13(12)4-6-21-18/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyZBZFFHNNNCMCJQ-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.16
Rot. Bonds2

About 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine

2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (PubChem CID 162760676) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.

Molecular Properties

Compound Name2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
PubChem CID162760676
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC Name2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine
SMILESFc1ccc(-c2nn3c(c2-c2ccnc4[nH]ccc24)COCC3)nc1
InChIInChI=1S/C18H14FN5O/c19-11-1-2-14(22-9-11)17-16(15-10-25-8-7-24(15)23-17)12-3-5-20-18-13(12)4-6-21-18/h1-6,9H,7-8,10H2,(H,20,21)
InChIKeyZBZFFHNNNCMCJQ-UHFFFAOYSA-N
XLogP3.16
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The IUPAC name of 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine (CID 162760676) is 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine.
What is the SMILES notation for 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The canonical SMILES for 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is Fc1ccc(-c2nn3c(c2-c2ccnc4[nH]ccc24)COCC3)nc1.
What is the InChIKey of 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
The InChIKey is ZBZFFHNNNCMCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c19-11-1-2-14(22-9-11)17-16(15-10-25-8-7-24(15)23-17)12-3-5-20-18-13(12)4-6-21-18/h1-6,9H,7-8,10H2,(H,20,21).
What are the key properties of 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine?
2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine has a molecular weight of 335.34 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyridinyl)-3-(1H-pyrrolo[2,3-b]pyridin-4-yl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine is sourced from PubChem (CID 162760676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).