[6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

C20H23FN4O2 — CID 56863885

IUPAC[6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccncc2F)nc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C20H23FN4O2/c21-18-14-22-6-3-17(18)19-2-1-15(13-23-19)20(26)25-7-4-16(5-8-25)24-9-11-27-12-10-24/h1-3,6,13-14,16H,4-5,7-12H2
InChIKeyRLSULIFBCKMTTI-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.22
Rot. Bonds3

About [6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone

[6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 56863885) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is [6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID56863885
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name[6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccncc2F)nc1)N1CCC(N2CCOCC2)CC1
InChIInChI=1S/C20H23FN4O2/c21-18-14-22-6-3-17(18)19-2-1-15(13-23-19)20(26)25-7-4-16(5-8-25)24-9-11-27-12-10-24/h1-3,6,13-14,16H,4-5,7-12H2
InChIKeyRLSULIFBCKMTTI-UHFFFAOYSA-N
XLogP2.22
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone (CID 56863885) is [6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is O=C(c1ccc(-c2ccncc2F)nc1)N1CCC(N2CCOCC2)CC1.
What is the InChIKey of [6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is RLSULIFBCKMTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c21-18-14-22-6-3-17(18)19-2-1-15(13-23-19)20(26)25-7-4-16(5-8-25)24-9-11-27-12-10-24/h1-3,6,13-14,16H,4-5,7-12H2.
What are the key properties of [6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone?
[6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 370.43 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-fluoro-4-pyridinyl)-3-pyridinyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 56863885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).