7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C17H17FN6O3 — CID 163729430

IUPAC7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2cc(N3COc4cc(C(=O)N5CCC[C@H]5F)[nH]c43)ccn2c1=O
InChIInChI=1S/C17H17FN6O3/c1-21-17(26)23-6-4-10(7-14(23)20-21)24-9-27-12-8-11(19-15(12)24)16(25)22-5-2-3-13(22)18/h4,6-8,13,19H,2-3,5,9H2,1H3/t13-/m0/s1
InChIKeyKYIAKTSHDQRRHF-ZDUSSCGKSA-N
MW372.36 g/mol
LogP1.38
Rot. Bonds2

About 7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 163729430) has the molecular formula C17H17FN6O3 and a molecular weight of 372.36 g/mol. Its IUPAC name is 7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID163729430
Molecular FormulaC17H17FN6O3
Molecular Weight372.36 g/mol
Exact Mass372.13
IUPAC Name7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2cc(N3COc4cc(C(=O)N5CCC[C@H]5F)[nH]c43)ccn2c1=O
InChIInChI=1S/C17H17FN6O3/c1-21-17(26)23-6-4-10(7-14(23)20-21)24-9-27-12-8-11(19-15(12)24)16(25)22-5-2-3-13(22)18/h4,6-8,13,19H,2-3,5,9H2,1H3/t13-/m0/s1
InChIKeyKYIAKTSHDQRRHF-ZDUSSCGKSA-N
XLogP1.38
TPSA87.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.36
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 163729430) is 7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1nc2cc(N3COc4cc(C(=O)N5CCC[C@H]5F)[nH]c43)ccn2c1=O.
What is the InChIKey of 7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is KYIAKTSHDQRRHF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17FN6O3/c1-21-17(26)23-6-4-10(7-14(23)20-21)24-9-27-12-8-11(19-15(12)24)16(25)22-5-2-3-13(22)18/h4,6-8,13,19H,2-3,5,9H2,1H3/t13-/m0/s1.
What are the key properties of 7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 372.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(2R)-2-fluoropyrrolidine-1-carbonyl]-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 163729430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).