7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

C19H23FN6O3 — CID 154993960

IUPAC7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN1NC2C=C(N3COc4cc(C(=O)N5CCC(C)(F)CC5)[nH]c43)C=CN2C1=O
InChIInChI=1S/C19H23FN6O3/c1-19(20)4-7-24(8-5-19)17(27)13-10-14-16(21-13)26(11-29-14)12-3-6-25-15(9-12)22-23(2)18(25)28/h3,6,9-10,15,21-22H,4-5,7-8,11H2,1-2H3
InChIKeyDQYYZMIBINZGNC-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.74
Rot. Bonds2

About 7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one

7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 154993960) has the molecular formula C19H23FN6O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID154993960
Molecular FormulaC19H23FN6O3
Molecular Weight402.43 g/mol
Exact Mass402.18
IUPAC Name7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN1NC2C=C(N3COc4cc(C(=O)N5CCC(C)(F)CC5)[nH]c43)C=CN2C1=O
InChIInChI=1S/C19H23FN6O3/c1-19(20)4-7-24(8-5-19)17(27)13-10-14-16(21-13)26(11-29-14)12-3-6-25-15(9-12)22-23(2)18(25)28/h3,6,9-10,15,21-22H,4-5,7-8,11H2,1-2H3
InChIKeyDQYYZMIBINZGNC-UHFFFAOYSA-N
XLogP1.74
TPSA84.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 154993960) is 7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN1NC2C=C(N3COc4cc(C(=O)N5CCC(C)(F)CC5)[nH]c43)C=CN2C1=O.
What is the InChIKey of 7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is DQYYZMIBINZGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O3/c1-19(20)4-7-24(8-5-19)17(27)13-10-14-16(21-13)26(11-29-14)12-3-6-25-15(9-12)22-23(2)18(25)28/h3,6,9-10,15,21-22H,4-5,7-8,11H2,1-2H3.
What are the key properties of 7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one?
7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 402.43 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(4-fluoro-4-methylpiperidine-1-carbonyl)-2,4-dihydropyrrolo[2,3-d][1,3]oxazol-3-yl]-2-methyl-1,8a-dihydro-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 154993960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).