[5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

C20H22ClFN4O2 — CID 10319071

IUPAC[5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(N2CCC(Oc3cccc(F)n3)CC2)c(Cl)c1)N1CCCC1
InChIInChI=1S/C20H22ClFN4O2/c21-16-12-14(20(27)26-8-1-2-9-26)13-23-19(16)25-10-6-15(7-11-25)28-18-5-3-4-17(22)24-18/h3-5,12-13,15H,1-2,6-11H2
InChIKeyIIDWQRINIMMSKF-UHFFFAOYSA-N
MW404.87 g/mol
LogP3.55
Rot. Bonds4

About [5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone

[5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 10319071) has the molecular formula C20H22ClFN4O2 and a molecular weight of 404.87 g/mol. Its IUPAC name is [5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID10319071
Molecular FormulaC20H22ClFN4O2
Molecular Weight404.87 g/mol
Exact Mass404.14
IUPAC Name[5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cnc(N2CCC(Oc3cccc(F)n3)CC2)c(Cl)c1)N1CCCC1
InChIInChI=1S/C20H22ClFN4O2/c21-16-12-14(20(27)26-8-1-2-9-26)13-23-19(16)25-10-6-15(7-11-25)28-18-5-3-4-17(22)24-18/h3-5,12-13,15H,1-2,6-11H2
InChIKeyIIDWQRINIMMSKF-UHFFFAOYSA-N
XLogP3.55
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.87
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[5-chloro-6-(4-ethoxypiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133271248
[5-chloro-6-[4-(4-fluorophenoxy)piperidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133345932
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]-1,4-diazepan-1-yl]-phenylmethanone
CID 133270887
[5-chloro-6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270898
[5-chloro-6-[4-[[4-(dimethylamino)pyrimidin-2-yl]amino]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10252084
[6-(8-bromo-3,4-dihydro-1H-isoquinolin-2-yl)-5-chloro-3-pyridinyl]-piperidin-1-ylmethanone
CID 133309019
[5-chloro-6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-morpholin-4-ylmethanone
CID 133406453
[4-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 56584912
(3,4-dimethoxyphenyl)-[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]methanone
CID 171701550
[5-chloro-6-[4-(4,6-dimethoxy-1,3,5-triazin-2-yl)piperazin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 10320691
N-[1-[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]piperidin-4-yl]-N-methylethanesulfonamide
CID 133295403
[3-[(6-fluoro-2-pyridinyl)oxy]pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172882481

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 10319071) is [5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is O=C(c1cnc(N2CCC(Oc3cccc(F)n3)CC2)c(Cl)c1)N1CCCC1.
What is the InChIKey of [5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is IIDWQRINIMMSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN4O2/c21-16-12-14(20(27)26-8-1-2-9-26)13-23-19(16)25-10-6-15(7-11-25)28-18-5-3-4-17(22)24-18/h3-5,12-13,15H,1-2,6-11H2.
What are the key properties of [5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 404.87 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[4-[(6-fluoro-2-pyridinyl)oxy]piperidin-1-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 10319071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).