[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone

C26H27N7O4 — CID 121073232

IUPAC[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4ccc(-c5noc(C6CC6)n5)cn4)CC3)[nH]n2)c1
InChIInChI=1S/C26H27N7O4/c1-35-18-6-7-22(36-2)19(13-18)20-14-21(30-29-20)26(34)33-11-9-32(10-12-33)23-8-5-17(15-27-23)24-28-25(37-31-24)16-3-4-16/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,29,30)
InChIKeyRCVHXXHLJXDYJK-UHFFFAOYSA-N
MW501.55 g/mol
LogP3.38
Rot. Bonds7

About [4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone

[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone (PubChem CID 121073232) has the molecular formula C26H27N7O4 and a molecular weight of 501.55 g/mol. Its IUPAC name is [4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
PubChem CID121073232
Molecular FormulaC26H27N7O4
Molecular Weight501.55 g/mol
Exact Mass501.21
IUPAC Name[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4ccc(-c5noc(C6CC6)n5)cn4)CC3)[nH]n2)c1
InChIInChI=1S/C26H27N7O4/c1-35-18-6-7-22(36-2)19(13-18)20-14-21(30-29-20)26(34)33-11-9-32(10-12-33)23-8-5-17(15-27-23)24-28-25(37-31-24)16-3-4-16/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,29,30)
InChIKeyRCVHXXHLJXDYJK-UHFFFAOYSA-N
XLogP3.38
TPSA122.50 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.55
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone with MolForge

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Related Compounds

[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methanone
CID 90491474
N-(5-chloro-2-methoxyphenyl)-4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carboxamide
CID 121073239
[4-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 90491305
[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 121023219
(6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491605
(2,6-dimethoxyphenyl)-[4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 4318183
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20953309
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 125165768
N-[4-[5-[1-(2,4-dimethoxybenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 53011866
(3,4-dimethoxyphenyl)-[(3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456302
[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 91946497
[3-(2-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 29029295

Frequently Asked Questions

What is the IUPAC name of [4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The IUPAC name of [4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone (CID 121073232) is [4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone.
What is the SMILES notation for [4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The canonical SMILES for [4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone is COc1ccc(OC)c(-c2cc(C(=O)N3CCN(c4ccc(-c5noc(C6CC6)n5)cn4)CC3)[nH]n2)c1.
What is the InChIKey of [4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone?
The InChIKey is RCVHXXHLJXDYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O4/c1-35-18-6-7-22(36-2)19(13-18)20-14-21(30-29-20)26(34)33-11-9-32(10-12-33)23-8-5-17(15-27-23)24-28-25(37-31-24)16-3-4-16/h5-8,13-16H,3-4,9-12H2,1-2H3,(H,29,30).
What are the key properties of [4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone?
[4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone has a molecular weight of 501.55 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazin-1-yl]-[3-(2,5-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone is sourced from PubChem (CID 121073232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).