2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole

C24H25Cl2FN4O2 — CID 58128512

IUPAC2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(OCCC3CC3C3CCN(c4ncc(Cl)cc4Cl)CC3)cc2F)o1
InChIInChI=1S/C24H25Cl2FN4O2/c1-14-29-30-24(33-14)19-3-2-18(12-22(19)27)32-9-6-16-10-20(16)15-4-7-31(8-5-15)23-21(26)11-17(25)13-28-23/h2-3,11-13,15-16,20H,4-10H2,1H3
InChIKeyUSXBGFYHJMJNQD-UHFFFAOYSA-N
MW491.39 g/mol
LogP6.21
Rot. Bonds7

About 2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole

2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 58128512) has the molecular formula C24H25Cl2FN4O2 and a molecular weight of 491.39 g/mol. Its IUPAC name is 2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole
PubChem CID58128512
Molecular FormulaC24H25Cl2FN4O2
Molecular Weight491.39 g/mol
Exact Mass490.13
IUPAC Name2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(OCCC3CC3C3CCN(c4ncc(Cl)cc4Cl)CC3)cc2F)o1
InChIInChI=1S/C24H25Cl2FN4O2/c1-14-29-30-24(33-14)19-3-2-18(12-22(19)27)32-9-6-16-10-20(16)15-4-7-31(8-5-15)23-21(26)11-17(25)13-28-23/h2-3,11-13,15-16,20H,4-10H2,1H3
InChIKeyUSXBGFYHJMJNQD-UHFFFAOYSA-N
XLogP6.21
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.39
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-5-methyl-1,3,4-oxadiazole
CID 58128541
2-[4-[2-[(1R,2S)-2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3-hydroxy-3-methylazetidin-1-yl)ethanone
CID 71572694
2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,3-difluoroazetidin-1-yl)ethanone
CID 78116992
2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 78117122
4-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]-1,2-oxazole
CID 58128546
2-cyclopropyl-5-[2-fluoro-4-[2-[(1R,2R)-2-piperidin-1-ylcyclopropyl]ethoxy]phenyl]-1,3,4-oxadiazole
CID 123716562
5-chloro-2-[4-[(1R,2S)-2-(2-pyridin-3-yloxyethyl)cyclopropyl]piperidin-1-yl]pyrimidine
CID 123460014
N-tert-butyl-4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorobenzamide;4-[(1R,2S)-2-[2-(3,5-difluoro-4-methylsulfonylphenoxy)ethyl]cyclopropyl]-1-ethylpiperidine;2-[4-[2-[(1S,2R)-2-(1-ethylpiperidin-4-yl)cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole;1-[2-fluoro-4-[2-[(1S,2R)-2-[1-(2,2,3,3,3-pentafluoropropyl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]pent-4-en-1-one;methane
CID 157230332
2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(1-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridin-5-yl)ethanone
CID 123470222
1-(azetidin-1-yl)-2-[4-[2-[2-[5-(5-chloro-3-ethyl-2-pyridinyl)cyclononyl]cyclopropyl]ethoxy]-2-fluorophenyl]ethanone
CID 123239544
2-[4-[2-[2-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-1-(3,4-dihydro-1H-2,7-naphthyridin-2-yl)ethanone
CID 123704141
2-[2-fluoro-4-[2-[(1S,2R)-2-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]cyclopropyl]ethoxy]phenyl]acetic acid
CID 70819496

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole (CID 58128512) is 2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccc(OCCC3CC3C3CCN(c4ncc(Cl)cc4Cl)CC3)cc2F)o1.
What is the InChIKey of 2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is USXBGFYHJMJNQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2FN4O2/c1-14-29-30-24(33-14)19-3-2-18(12-22(19)27)32-9-6-16-10-20(16)15-4-7-31(8-5-15)23-21(26)11-17(25)13-28-23/h2-3,11-13,15-16,20H,4-10H2,1H3.
What are the key properties of 2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole?
2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 491.39 g/mol, XLogP of 6.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[2-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]cyclopropyl]ethoxy]-2-fluorophenyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 58128512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).