N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane

C65H82F8N12O6 — CID 166470455

IUPACN-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane
SMILESCC.CC(C(=O)N1CCNCC1C(F)(F)F)c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)c(F)c1.CC(C(=O)NC(Cc1ccccn1)C(F)(F)F)c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)c(F)c1
InChIInChI=1S/C33H38F4N6O3.C30H38F4N6O3.C2H6/c1-18(2)43-26(13-15-39-43)31(45)42-29(28(20-7-8-20)21-9-10-21)32(46)40-25-12-11-22(16-24(25)34)19(3)30(44)41-27(33(35,36)37)17-23-6-4-5-14-38-23;1-16(2)40-23(10-11-36-40)27(41)38-26(25(18-4-5-18)19-6-7-19)28(42)37-22-9-8-20(14-21(22)31)17(3)29(43)39-13-12-35-15-24(39)30(32,33)34;1-2/h4-6,11-16,18-21,27-29H,7-10,17H2,1-3H3,(H,40,46)(H,41,44)(H,42,45);8-11,14,16-19,24-26,35H,4-7,12-13,15H2,1-3H3,(H,37,42)(H,38,41);1-2H3
InChIKeyNFOGMOXLMNWEMO-UHFFFAOYSA-N
MW1279.43 g/mol
LogP10.83
Rot. Bonds23

About N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane

N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane (PubChem CID 166470455) has the molecular formula C65H82F8N12O6 and a molecular weight of 1279.43 g/mol. Its IUPAC name is N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane.

Molecular Properties

Compound NameN-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane
PubChem CID166470455
Molecular FormulaC65H82F8N12O6
Molecular Weight1279.43 g/mol
Exact Mass1278.64
IUPAC NameN-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane
SMILESCC.CC(C(=O)N1CCNCC1C(F)(F)F)c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)c(F)c1.CC(C(=O)NC(Cc1ccccn1)C(F)(F)F)c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)c(F)c1
InChIInChI=1S/C33H38F4N6O3.C30H38F4N6O3.C2H6/c1-18(2)43-26(13-15-39-43)31(45)42-29(28(20-7-8-20)21-9-10-21)32(46)40-25-12-11-22(16-24(25)34)19(3)30(44)41-27(33(35,36)37)17-23-6-4-5-14-38-23;1-16(2)40-23(10-11-36-40)27(41)38-26(25(18-4-5-18)19-6-7-19)28(42)37-22-9-8-20(14-21(22)31)17(3)29(43)39-13-12-35-15-24(39)30(32,33)34;1-2/h4-6,11-16,18-21,27-29H,7-10,17H2,1-3H3,(H,40,46)(H,41,44)(H,42,45);8-11,14,16-19,24-26,35H,4-7,12-13,15H2,1-3H3,(H,37,42)(H,38,41);1-2H3
InChIKeyNFOGMOXLMNWEMO-UHFFFAOYSA-N
XLogP10.83
TPSA226.37 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds23
Heavy Atoms91
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001279.43
LogP ≤ 510.83
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane?
The IUPAC name of N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane (CID 166470455) is N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane.
What is the SMILES notation for N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane?
The canonical SMILES for N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane is CC.CC(C(=O)N1CCNCC1C(F)(F)F)c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)c(F)c1.CC(C(=O)NC(Cc1ccccn1)C(F)(F)F)c1ccc(NC(=O)C(NC(=O)c2ccnn2C(C)C)C(C2CC2)C2CC2)c(F)c1.
What is the InChIKey of N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane?
The InChIKey is NFOGMOXLMNWEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38F4N6O3.C30H38F4N6O3.C2H6/c1-18(2)43-26(13-15-39-43)31(45)42-29(28(20-7-8-20)21-9-10-21)32(46)40-25-12-11-22(16-24(25)34)19(3)30(44)41-27(33(35,36)37)17-23-6-4-5-14-38-23;1-16(2)40-23(10-11-36-40)27(41)38-26(25(18-4-5-18)19-6-7-19)28(42)37-22-9-8-20(14-21(22)31)17(3)29(43)39-13-12-35-15-24(39)30(32,33)34;1-2/h4-6,11-16,18-21,27-29H,7-10,17H2,1-3H3,(H,40,46)(H,41,44)(H,42,45);8-11,14,16-19,24-26,35H,4-7,12-13,15H2,1-3H3,(H,37,42)(H,38,41);1-2H3.
What are the key properties of N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane?
N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane has a molecular weight of 1279.43 g/mol, XLogP of 10.83, 23 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[2-(trifluoromethyl)piperazin-1-yl]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;N-[1,1-dicyclopropyl-3-[2-fluoro-4-[1-oxo-1-[(1,1,1-trifluoro-3-pyridin-2-ylpropan-2-yl)amino]propan-2-yl]anilino]-3-oxopropan-2-yl]-2-propan-2-ylpyrazole-3-carboxamide;ethane is sourced from PubChem (CID 166470455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).