3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide

C19H15ClF3N5O2 — CID 171813894

IUPAC3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2nccnc2C(C)NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)nn1
InChIInChI=1S/C19H15ClF3N5O2/c1-10(26-18(29)11-7-12(19(21,22)23)9-13(20)8-11)16-17(25-6-5-24-16)14-3-4-15(30-2)28-27-14/h3-10H,1-2H3,(H,26,29)
InChIKeyAKZPJFRLRMTHID-UHFFFAOYSA-N
MW437.81 g/mol
LogP4.11
Rot. Bonds5

About 3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide

3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide (PubChem CID 171813894) has the molecular formula C19H15ClF3N5O2 and a molecular weight of 437.81 g/mol. Its IUPAC name is 3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide
PubChem CID171813894
Molecular FormulaC19H15ClF3N5O2
Molecular Weight437.81 g/mol
Exact Mass437.09
IUPAC Name3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(-c2nccnc2C(C)NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)nn1
InChIInChI=1S/C19H15ClF3N5O2/c1-10(26-18(29)11-7-12(19(21,22)23)9-13(20)8-11)16-17(25-6-5-24-16)14-3-4-15(30-2)28-27-14/h3-10H,1-2H3,(H,26,29)
InChIKeyAKZPJFRLRMTHID-UHFFFAOYSA-N
XLogP4.11
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.81
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[(1R)-1-(3-pyridin-2-ylpyrazin-2-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 175763170
N-[1-[3-(5-chloropyrazin-2-yl)pyrazin-2-yl]ethyl]-3-iodo-5-(trifluoromethyl)benzamide
CID 167224206
N-[(1S)-1-[3-(5-cyano-2-pyridinyl)pyrazin-2-yl]ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 155205059
N-[1-[3-(5-chloro-2-pyridinyl)pyrazin-2-yl]ethyl]-3-(1-cyanocyclopropyl)-5-(trifluoromethyl)benzamide
CID 155167233
3-chloro-N-[1-[6-chloro-3-(triazol-2-yl)-2-pyridinyl]ethyl]-5-(trifluoromethyl)benzamide
CID 171772649
N-[1-[3-(5-bromo-2-pyridinyl)pyrazin-2-yl]ethyl]-3-[cyclopropyl(difluoro)methyl]-5-(trifluoromethyl)benzamide
CID 155167125
3-cyclopropylsulfonyl-N-[1-(3-pyrimidin-2-ylpyrazin-2-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 164779185
3-chloro-N-[1-(2-pyridin-2-yl-1,2,4-triazol-3-yl)ethyl]-5-(trifluoromethyl)benzamide
CID 155434448
N-[1-[3-(5-cyanopyrazin-2-yl)pyrazin-2-yl]ethyl]-3-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 166162276
N-[1-[3-(5-bromopyrimidin-2-yl)pyrazin-2-yl]ethyl]-3-(2-cyanopropan-2-yl)-5-(trifluoromethyl)benzamide
CID 164779152
2-[3-[1-[[3,5-bis(trifluoromethyl)benzoyl]amino]ethyl]pyrazin-2-yl]-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 167323015
3-(1-cyanocyclopropyl)-N-[1-[3-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide
CID 164792439

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide (CID 171813894) is 3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide is COc1ccc(-c2nccnc2C(C)NC(=O)c2cc(Cl)cc(C(F)(F)F)c2)nn1.
What is the InChIKey of 3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide?
The InChIKey is AKZPJFRLRMTHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N5O2/c1-10(26-18(29)11-7-12(19(21,22)23)9-13(20)8-11)16-17(25-6-5-24-16)14-3-4-15(30-2)28-27-14/h3-10H,1-2H3,(H,26,29).
What are the key properties of 3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide?
3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide has a molecular weight of 437.81 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[3-(6-methoxypyridazin-3-yl)pyrazin-2-yl]ethyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 171813894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).