(5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone

C22H22ClN5O3 — CID 53134204

IUPAC(5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1
InChIInChI=1S/C22H22ClN5O3/c1-30-18-7-6-15(23)13-17(18)22(29)28-11-9-27(10-12-28)19-16(3-2-8-24-19)21-26-25-20(31-21)14-4-5-14/h2-3,6-8,13-14H,4-5,9-12H2,1H3
InChIKeyNYEVDIBCGFWAJN-UHFFFAOYSA-N
MW439.90 g/mol
LogP3.63
Rot. Bonds5

About (5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone

(5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (PubChem CID 53134204) has the molecular formula C22H22ClN5O3 and a molecular weight of 439.90 g/mol. Its IUPAC name is (5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
PubChem CID53134204
Molecular FormulaC22H22ClN5O3
Molecular Weight439.90 g/mol
Exact Mass439.14
IUPAC Name(5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone
SMILESCOc1ccc(Cl)cc1C(=O)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1
InChIInChI=1S/C22H22ClN5O3/c1-30-18-7-6-15(23)13-17(18)22(29)28-11-9-27(10-12-28)19-16(3-2-8-24-19)21-26-25-20(31-21)14-4-5-14/h2-3,6-8,13-14H,4-5,9-12H2,1H3
InChIKeyNYEVDIBCGFWAJN-UHFFFAOYSA-N
XLogP3.63
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.90
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-(4-methoxy-2-methylphenyl)methanone
CID 53134203
1-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 53134222
4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-methylbutyl)piperazine-1-carboxamide
CID 87050197
4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]-N-(3-fluorophenyl)piperazine-1-carboxamide
CID 53134237
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
(5-chloro-2-methoxyphenyl)-[4-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 84579932
(3,4-dimethoxyphenyl)-[(3S)-3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 51137765
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
CID 49064321
2-[4-(2,5-dichlorobenzoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47087134
[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]methanone
CID 55876984

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The IUPAC name of (5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone (CID 53134204) is (5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is COc1ccc(Cl)cc1C(=O)N1CCN(c2ncccc2-c2nnc(C3CC3)o2)CC1.
What is the InChIKey of (5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
The InChIKey is NYEVDIBCGFWAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O3/c1-30-18-7-6-15(23)13-17(18)22(29)28-11-9-27(10-12-28)19-16(3-2-8-24-19)21-26-25-20(31-21)14-4-5-14/h2-3,6-8,13-14H,4-5,9-12H2,1H3.
What are the key properties of (5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone?
(5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone has a molecular weight of 439.90 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methoxyphenyl)-[4-[3-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazin-1-yl]methanone is sourced from PubChem (CID 53134204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).