5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid

C75H63Cl4F12N17O11 — CID 157163997

IUPAC5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCNC(=O)c1cnc(N2CCN(c3noc4cccc(C(F)(F)F)c34)CC2)c(Cl)c1.C[C@@H]1CN(c2ncc(C(=O)O)cc2Cl)CCN1c1noc2cccc(C(F)(F)F)c12.C[C@H]1CN(c2ncc(C(=O)O)cc2Cl)CCN1c1noc2cccc(C(F)(F)F)c12.O=C(O)c1cnc(N2CCN(c3noc4cccc(C(F)(F)F)c34)CC2)c(Cl)c1
InChIInChI=1S/C19H17ClF3N5O2.2C19H16ClF3N4O3.C18H14ClF3N4O3/c1-24-18(29)11-9-13(20)16(25-10-11)27-5-7-28(8-6-27)17-15-12(19(21,22)23)3-2-4-14(15)30-26-17;2*1-10-9-26(16-13(20)7-11(8-24-16)18(28)29)5-6-27(10)17-15-12(19(21,22)23)3-2-4-14(15)30-25-17;19-12-8-10(17(27)28)9-23-15(12)25-4-6-26(7-5-25)16-14-11(18(20,21)22)2-1-3-13(14)29-24-16/h2-4,9-10H,5-8H2,1H3,(H,24,29);2*2-4,7-8,10H,5-6,9H2,1H3,(H,28,29);1-3,8-9H,4-7H2,(H,27,28)/t;2*10-;/m.10./s1
InChIKeyAMRWFBBUCNOUKS-JFBGQULXSA-N
MW1748.22 g/mol
LogP16.12
Rot. Bonds12

About 5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid

5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid (PubChem CID 157163997) has the molecular formula C75H63Cl4F12N17O11 and a molecular weight of 1748.22 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid
PubChem CID157163997
Molecular FormulaC75H63Cl4F12N17O11
Molecular Weight1748.22 g/mol
Exact Mass1745.35
IUPAC Name5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid
SMILESCNC(=O)c1cnc(N2CCN(c3noc4cccc(C(F)(F)F)c34)CC2)c(Cl)c1.C[C@@H]1CN(c2ncc(C(=O)O)cc2Cl)CCN1c1noc2cccc(C(F)(F)F)c12.C[C@H]1CN(c2ncc(C(=O)O)cc2Cl)CCN1c1noc2cccc(C(F)(F)F)c12.O=C(O)c1cnc(N2CCN(c3noc4cccc(C(F)(F)F)c34)CC2)c(Cl)c1
InChIInChI=1S/C19H17ClF3N5O2.2C19H16ClF3N4O3.C18H14ClF3N4O3/c1-24-18(29)11-9-13(20)16(25-10-11)27-5-7-28(8-6-27)17-15-12(19(21,22)23)3-2-4-14(15)30-26-17;2*1-10-9-26(16-13(20)7-11(8-24-16)18(28)29)5-6-27(10)17-15-12(19(21,22)23)3-2-4-14(15)30-25-17;19-12-8-10(17(27)28)9-23-15(12)25-4-6-26(7-5-25)16-14-11(18(20,21)22)2-1-3-13(14)29-24-16/h2-4,9-10H,5-8H2,1H3,(H,24,29);2*2-4,7-8,10H,5-6,9H2,1H3,(H,28,29);1-3,8-9H,4-7H2,(H,27,28)/t;2*10-;/m.10./s1
InChIKeyAMRWFBBUCNOUKS-JFBGQULXSA-N
XLogP16.12
TPSA322.60 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds12
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.22
LogP ≤ 516.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid with MolForge

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Related Compounds

5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 147820591
5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 147820592
5-Chloro-6-[8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid
CID 149740498
5-Chloro-6-[3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 156133688
5-chloro-6-[(5S)-8-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,8-diazabicyclo[3.2.1]octan-3-yl]pyridine-3-carboxylic acid
CID 156141183
3-[4-(2-Chlorophenyl)piperazin-1-yl]-1,2-benzoxazole;5-chloro-6-[4-[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;3-[4-(2,3-dimethylphenyl)piperazin-1-yl]-1,2-benzoxazole;3-(4-pyridin-2-ylpiperazin-1-yl)-1,2-benzoxazole
CID 157387758
3-[4-(2-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-4-(trifluoromethyl)-1,2-benzoxazole;5-chloro-6-[1-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperidin-4-yl]pyridine-3-carboxylic acid;ethyl 5-chloro-6-[2-oxo-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylate;methyl 5-chloro-6-[1-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperidin-4-yl]pyridine-3-carboxylate
CID 158578767
5-chloro-6-[2-oxo-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;3-chloro-4-[1-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,6-dihydro-2H-pyridin-4-yl]benzoic acid;methyl 3-chloro-4-[1-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]-3,6-dihydro-2H-pyridin-4-yl]benzoate
CID 158996825
3-[4-(2-Chloro-3-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole;3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-1,2-benzoxazole;2-[2-oxo-3-[1-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperidin-4-yl]benzimidazol-1-yl]acetic acid
CID 159493658
3-chloro-4-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]benzoic acid;5-chloro-6-[4-(4-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]-N,N-dimethylpyridine-3-carboxamide;5-chloro-6-[4-(5-chloro-1,2-benzoxazol-3-yl)piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-1,2-benzoxazole
CID 159728272
2-chloro-N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]piperidine-1-carboxamide
CID 160028549
2-chloro-N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]benzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2,6-difluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-fluorobenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]-2-methylbenzamide;N-[5-(3,5-dimethyl-1,2-benzoxazol-6-yl)-2-pyridinyl]piperidine-1-carboxamide
CID 161793997

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid (CID 157163997) is 5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid is CNC(=O)c1cnc(N2CCN(c3noc4cccc(C(F)(F)F)c34)CC2)c(Cl)c1.C[C@@H]1CN(c2ncc(C(=O)O)cc2Cl)CCN1c1noc2cccc(C(F)(F)F)c12.C[C@H]1CN(c2ncc(C(=O)O)cc2Cl)CCN1c1noc2cccc(C(F)(F)F)c12.O=C(O)c1cnc(N2CCN(c3noc4cccc(C(F)(F)F)c34)CC2)c(Cl)c1.
What is the InChIKey of 5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid?
The InChIKey is AMRWFBBUCNOUKS-JFBGQULXSA-N. The full InChI is InChI=1S/C19H17ClF3N5O2.2C19H16ClF3N4O3.C18H14ClF3N4O3/c1-24-18(29)11-9-13(20)16(25-10-11)27-5-7-28(8-6-27)17-15-12(19(21,22)23)3-2-4-14(15)30-26-17;2*1-10-9-26(16-13(20)7-11(8-24-16)18(28)29)5-6-27(10)17-15-12(19(21,22)23)3-2-4-14(15)30-25-17;19-12-8-10(17(27)28)9-23-15(12)25-4-6-26(7-5-25)16-14-11(18(20,21)22)2-1-3-13(14)29-24-16/h2-4,9-10H,5-8H2,1H3,(H,24,29);2*2-4,7-8,10H,5-6,9H2,1H3,(H,28,29);1-3,8-9H,4-7H2,(H,27,28)/t;2*10-;/m.10./s1.
What are the key properties of 5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid?
5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid has a molecular weight of 1748.22 g/mol, XLogP of 16.12, 12 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxamide;5-chloro-6-[(3R)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[(3S)-3-methyl-4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid;5-chloro-6-[4-[4-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperazin-1-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 157163997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).