(3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

C20H22FN5O3 — CID 136593537

IUPAC(3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCOc1nccc(C(=O)N2CC(c3noc(-c4cc(C)c[nH]4)n3)CCC2C)c1F
InChIInChI=1S/C20H22FN5O3/c1-11-8-15(23-9-11)18-24-17(25-29-18)13-5-4-12(2)26(10-13)20(27)14-6-7-22-19(28-3)16(14)21/h6-9,12-13,23H,4-5,10H2,1-3H3
InChIKeyJMBBJFAIPVLYII-UHFFFAOYSA-N
MW399.43 g/mol
LogP3.32
Rot. Bonds4

About (3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone

(3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (PubChem CID 136593537) has the molecular formula C20H22FN5O3 and a molecular weight of 399.43 g/mol. Its IUPAC name is (3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
PubChem CID136593537
Molecular FormulaC20H22FN5O3
Molecular Weight399.43 g/mol
Exact Mass399.17
IUPAC Name(3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
SMILESCOc1nccc(C(=O)N2CC(c3noc(-c4cc(C)c[nH]4)n3)CCC2C)c1F
InChIInChI=1S/C20H22FN5O3/c1-11-8-15(23-9-11)18-24-17(25-29-18)13-5-4-12(2)26(10-13)20(27)14-6-7-22-19(28-3)16(14)21/h6-9,12-13,23H,4-5,10H2,1-3H3
InChIKeyJMBBJFAIPVLYII-UHFFFAOYSA-N
XLogP3.32
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone (CID 136593537) is (3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is COc1nccc(C(=O)N2CC(c3noc(-c4cc(C)c[nH]4)n3)CCC2C)c1F.
What is the InChIKey of (3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
The InChIKey is JMBBJFAIPVLYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O3/c1-11-8-15(23-9-11)18-24-17(25-29-18)13-5-4-12(2)26(10-13)20(27)14-6-7-22-19(28-3)16(14)21/h6-9,12-13,23H,4-5,10H2,1-3H3.
What are the key properties of (3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone?
(3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone has a molecular weight of 399.43 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-2-methoxy-4-pyridinyl)-[2-methyl-5-[5-(4-methyl-1H-pyrrol-2-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 136593537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).