[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone

C17H17ClF3N3O2 — CID 103596257

IUPAC[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)cc(-c2ncc(C(F)(F)F)cc2Cl)n1C
InChIInChI=1S/C17H17ClF3N3O2/c1-10-12(16(25)24-3-5-26-6-4-24)8-14(23(10)2)15-13(18)7-11(9-22-15)17(19,20)21/h7-9H,3-6H2,1-2H3
InChIKeyRRMCNHRAVQERJP-UHFFFAOYSA-N
MW387.79 g/mol
LogP3.54
Rot. Bonds2

About [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone

[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone (PubChem CID 103596257) has the molecular formula C17H17ClF3N3O2 and a molecular weight of 387.79 g/mol. Its IUPAC name is [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone
PubChem CID103596257
Molecular FormulaC17H17ClF3N3O2
Molecular Weight387.79 g/mol
Exact Mass387.10
IUPAC Name[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone
SMILESCc1c(C(=O)N2CCOCC2)cc(-c2ncc(C(F)(F)F)cc2Cl)n1C
InChIInChI=1S/C17H17ClF3N3O2/c1-10-12(16(25)24-3-5-26-6-4-24)8-14(23(10)2)15-13(18)7-11(9-22-15)17(19,20)21/h7-9H,3-6H2,1-2H3
InChIKeyRRMCNHRAVQERJP-UHFFFAOYSA-N
XLogP3.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
CID 66989884
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2766908
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(2-hydroxybenzoyl)-N-methylpiperazine-1-carboxamide
CID 166230829
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 3719727
[2-[2-chloro-5-(trifluoromethyl)anilino]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 109252168
(2-chloro-3-pyridinyl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2766871
[4-[2-chloro-5-(trifluoromethyl)anilino]quinolin-3-yl]-morpholin-4-ylmethanone
CID 53052655
(5-chloro-1,3-dimethylpyrazol-4-yl)-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55486311
2-chloro-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]benzoic acid
CID 68945828
(2,5-dichloro-4-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 114918455
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 103596049
[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 78781797

Frequently Asked Questions

What is the IUPAC name of [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone (CID 103596257) is [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone is Cc1c(C(=O)N2CCOCC2)cc(-c2ncc(C(F)(F)F)cc2Cl)n1C.
What is the InChIKey of [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone?
The InChIKey is RRMCNHRAVQERJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClF3N3O2/c1-10-12(16(25)24-3-5-26-6-4-24)8-14(23(10)2)15-13(18)7-11(9-22-15)17(19,20)21/h7-9H,3-6H2,1-2H3.
What are the key properties of [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone?
[5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone has a molecular weight of 387.79 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1,2-dimethylpyrrol-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 103596257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).