6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile

C23H17FN6O — CID 69177978

IUPAC6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cccc(-c2cc([C@H]3CC=C4CN(c5ncc(C#N)cc5F)CCN43)no2)c1
InChIInChI=1S/C23H17FN6O/c24-19-9-16(12-26)13-27-23(19)29-6-7-30-18(14-29)4-5-21(30)20-10-22(31-28-20)17-3-1-2-15(8-17)11-25/h1-4,8-10,13,21H,5-7,14H2/t21-/m1/s1
InChIKeyTUMJZFMHFCVNGA-OAQYLSRUSA-N
MW412.43 g/mol
LogP3.77
Rot. Bonds3

About 6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile

6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile (PubChem CID 69177978) has the molecular formula C23H17FN6O and a molecular weight of 412.43 g/mol. Its IUPAC name is 6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile
PubChem CID69177978
Molecular FormulaC23H17FN6O
Molecular Weight412.43 g/mol
Exact Mass412.14
IUPAC Name6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile
SMILESN#Cc1cccc(-c2cc([C@H]3CC=C4CN(c5ncc(C#N)cc5F)CCN43)no2)c1
InChIInChI=1S/C23H17FN6O/c24-19-9-16(12-26)13-27-23(19)29-6-7-30-18(14-29)4-5-21(30)20-10-22(31-28-20)17-3-1-2-15(8-17)11-25/h1-4,8-10,13,21H,5-7,14H2/t21-/m1/s1
InChIKeyTUMJZFMHFCVNGA-OAQYLSRUSA-N
XLogP3.77
TPSA92.98 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.43
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Analyze 6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile?
The IUPAC name of 6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile (CID 69177978) is 6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile.
What is the SMILES notation for 6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile?
The canonical SMILES for 6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile is N#Cc1cccc(-c2cc([C@H]3CC=C4CN(c5ncc(C#N)cc5F)CCN43)no2)c1.
What is the InChIKey of 6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile?
The InChIKey is TUMJZFMHFCVNGA-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H17FN6O/c24-19-9-16(12-26)13-27-23(19)29-6-7-30-18(14-29)4-5-21(30)20-10-22(31-28-20)17-3-1-2-15(8-17)11-25/h1-4,8-10,13,21H,5-7,14H2/t21-/m1/s1.
What are the key properties of 6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile?
6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile has a molecular weight of 412.43 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6R)-6-[5-(3-cyanophenyl)-1,2-oxazol-3-yl]-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-5-fluoropyridine-3-carbonitrile is sourced from PubChem (CID 69177978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).