1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide

C54H48F6N12O7 — CID 160730822

IUPAC1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(O)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(OCCN2CCCC2=O)c1.O=C1CCCN1CCO
InChIInChI=1S/C27H23F3N6O3.C21H14F3N5O2.C6H11NO2/c28-27(29,30)23-15-22(19-5-2-10-31-16-19)34-36(23)24-9-8-20(17-32-24)33-26(38)18-4-1-6-21(14-18)39-13-12-35-11-3-7-25(35)37;22-21(23,24)18-10-17(14-4-2-8-25-11-14)28-29(18)19-7-6-15(12-26-19)27-20(31)13-3-1-5-16(30)9-13;8-5-4-7-3-1-2-6(7)9/h1-2,4-6,8-10,14-17H,3,7,11-13H2,(H,33,38);1-12,30H,(H,27,31);8H,1-5H2
InChIKeyRUHVBPXCOMISEQ-UHFFFAOYSA-N
MW1091.04 g/mol
LogP8.51
Rot. Bonds14

About 1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide

1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide (PubChem CID 160730822) has the molecular formula C54H48F6N12O7 and a molecular weight of 1091.04 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
PubChem CID160730822
Molecular FormulaC54H48F6N12O7
Molecular Weight1091.04 g/mol
Exact Mass1090.37
IUPAC Name1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide
SMILESO=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(O)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(OCCN2CCCC2=O)c1.O=C1CCCN1CCO
InChIInChI=1S/C27H23F3N6O3.C21H14F3N5O2.C6H11NO2/c28-27(29,30)23-15-22(19-5-2-10-31-16-19)34-36(23)24-9-8-20(17-32-24)33-26(38)18-4-1-6-21(14-18)39-13-12-35-11-3-7-25(35)37;22-21(23,24)18-10-17(14-4-2-8-25-11-14)28-29(18)19-7-6-15(12-26-19)27-20(31)13-3-1-5-16(30)9-13;8-5-4-7-3-1-2-6(7)9/h1-2,4-6,8-10,14-17H,3,7,11-13H2,(H,33,38);1-12,30H,(H,27,31);8H,1-5H2
InChIKeyRUHVBPXCOMISEQ-UHFFFAOYSA-N
XLogP8.51
TPSA235.71 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds14
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001091.04
LogP ≤ 58.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze 1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide with MolForge

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Related Compounds

US9834554, Example 41
CID 122668802
4-methyl-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 17748431
3-butoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]benzamide
CID 57861415
3-(2-phenylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]benzamide
CID 57861444
3-benzyloxy-N-[6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridin-3-yl]-benzamide
CID 57861502
3-phenoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]benzamide
CID 57861544
3-(2-pyridin-2-ylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]benzamide
CID 57861555
3-(2-pyridin-4-ylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]benzamide
CID 57861583
3-phenylmethoxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]benzamide
CID 57861606
3-ethoxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]benzamide
CID 57861656
3-propan-2-yloxy-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-yl]benzamide
CID 57861709
3-(2-morpholin-4-ylethoxy)-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]benzamide
CID 57861722

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide?
The IUPAC name of 1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide (CID 160730822) is 1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for 1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide?
The canonical SMILES for 1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide is O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(O)c1.O=C(Nc1ccc(-n2nc(-c3cccnc3)cc2C(F)(F)F)nc1)c1cccc(OCCN2CCCC2=O)c1.O=C1CCCN1CCO.
What is the InChIKey of 1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide?
The InChIKey is RUHVBPXCOMISEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N6O3.C21H14F3N5O2.C6H11NO2/c28-27(29,30)23-15-22(19-5-2-10-31-16-19)34-36(23)24-9-8-20(17-32-24)33-26(38)18-4-1-6-21(14-18)39-13-12-35-11-3-7-25(35)37;22-21(23,24)18-10-17(14-4-2-8-25-11-14)28-29(18)19-7-6-15(12-26-19)27-20(31)13-3-1-5-16(30)9-13;8-5-4-7-3-1-2-6(7)9/h1-2,4-6,8-10,14-17H,3,7,11-13H2,(H,33,38);1-12,30H,(H,27,31);8H,1-5H2.
What are the key properties of 1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide?
1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide has a molecular weight of 1091.04 g/mol, XLogP of 8.51, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)pyrrolidin-2-one;3-hydroxy-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide;3-[2-(2-oxopyrrolidin-1-yl)ethoxy]-N-[6-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 160730822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).