5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine

C20H14FN5O — CID 86767097

IUPAC5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine
SMILESCc1ncc2nccn2c1-c1ccc(Oc2nccc3[nH]ccc23)cc1F
InChIInChI=1S/C20H14FN5O/c1-12-19(26-9-8-23-18(26)11-25-12)14-3-2-13(10-16(14)21)27-20-15-4-6-22-17(15)5-7-24-20/h2-11,22H,1H3
InChIKeyBYPSSCOWKGYPDI-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.51
Rot. Bonds3

About 5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine

5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine (PubChem CID 86767097) has the molecular formula C20H14FN5O and a molecular weight of 359.36 g/mol. Its IUPAC name is 5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine
PubChem CID86767097
Molecular FormulaC20H14FN5O
Molecular Weight359.36 g/mol
Exact Mass359.12
IUPAC Name5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine
SMILESCc1ncc2nccn2c1-c1ccc(Oc2nccc3[nH]ccc23)cc1F
InChIInChI=1S/C20H14FN5O/c1-12-19(26-9-8-23-18(26)11-25-12)14-3-2-13(10-16(14)21)27-20-15-4-6-22-17(15)5-7-24-20/h2-11,22H,1H3
InChIKeyBYPSSCOWKGYPDI-UHFFFAOYSA-N
XLogP4.51
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine?
The IUPAC name of 5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine (CID 86767097) is 5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine?
The canonical SMILES for 5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine is Cc1ncc2nccn2c1-c1ccc(Oc2nccc3[nH]ccc23)cc1F.
What is the InChIKey of 5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine?
The InChIKey is BYPSSCOWKGYPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O/c1-12-19(26-9-8-23-18(26)11-25-12)14-3-2-13(10-16(14)21)27-20-15-4-6-22-17(15)5-7-24-20/h2-11,22H,1H3.
What are the key properties of 5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine?
5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine has a molecular weight of 359.36 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-6-methylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 86767097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).