magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide

C42H43BrF6MgN12O4 — CID 158345714

IUPACmagnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide
SMILESBr.CC(=O)c1c(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)cnn1C.Cn1ncc(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)c1C(C)(O)C1CC1.[CH-]1CC1.[H-].[Mg+2]
InChIInChI=1S/C21H21F3N6O2.C18H15F3N6O2.C3H5.BrH.Mg.H/c1-20(32,13-3-4-13)18-15(11-27-30(18)2)28-19(31)12-7-8-25-17(9-12)29-16-6-5-14(10-26-16)21(22,23)24;1-10(28)16-13(9-24-27(16)2)25-17(29)11-5-6-22-15(7-11)26-14-4-3-12(8-23-14)18(19,20)21;1-2-3-1;;;/h5-11,13,32H,3-4H2,1-2H3,(H,28,31)(H,25,26,29);3-9H,1-2H3,(H,25,29)(H,22,23,26);1H,2-3H2;1H;;/q;;-1;;+2;-1
InChIKeyDNUZCXNMDIBVRK-UHFFFAOYSA-N
MW998.08 g/mol
LogP8.56
Rot. Bonds11

About magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide

magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide (PubChem CID 158345714) has the molecular formula C42H43BrF6MgN12O4 and a molecular weight of 998.08 g/mol. Its IUPAC name is magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide.

Molecular Properties

Compound Namemagnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide
PubChem CID158345714
Molecular FormulaC42H43BrF6MgN12O4
Molecular Weight998.08 g/mol
Exact Mass996.25
IUPAC Namemagnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide
SMILESBr.CC(=O)c1c(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)cnn1C.Cn1ncc(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)c1C(C)(O)C1CC1.[CH-]1CC1.[H-].[Mg+2]
InChIInChI=1S/C21H21F3N6O2.C18H15F3N6O2.C3H5.BrH.Mg.H/c1-20(32,13-3-4-13)18-15(11-27-30(18)2)28-19(31)12-7-8-25-17(9-12)29-16-6-5-14(10-26-16)21(22,23)24;1-10(28)16-13(9-24-27(16)2)25-17(29)11-5-6-22-15(7-11)26-14-4-3-12(8-23-14)18(19,20)21;1-2-3-1;;;/h5-11,13,32H,3-4H2,1-2H3,(H,28,31)(H,25,26,29);3-9H,1-2H3,(H,25,29)(H,22,23,26);1H,2-3H2;1H;;/q;;-1;;+2;-1
InChIKeyDNUZCXNMDIBVRK-UHFFFAOYSA-N
XLogP8.56
TPSA206.76 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds11
Heavy Atoms66
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500998.08
LogP ≤ 58.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-2-methylpyridine-3-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]pyridine-3-carboxamide
CID 89049271
N-(5-(1-Cyclopropyl-1-hydroxyethyl)-1-methyl-1H-pyrazol-4-yl)-2-((5-(trifluoromethyl)pyridin-2-yl)amino)isonicotinamide
CID 118064981
N-[5-(1-cyclopropyl-1-hydroxyethyl)pyridazin-4-yl]-2-[[5-(trifluoromethyl)pyridin-2-yl]amino]pyridine-4-carboxamide
CID 118072386
N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(fluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 122551128
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-2-methylpyridine-3-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-4-carboxamide;hydrochloride
CID 157792377
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]pyridine-2-carboxamide
CID 157996664
sodium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;boranuide;N-[5-(1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide
CID 159050482
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]-3-fluoropyridine-4-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]pyridine-4-carboxamide
CID 159274524
N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]-3-methylpyridine-2-carboxamide;N-[6-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-3-pyridinyl]pyridine-3-carboxamide;hydrochloride
CID 160797717
4-amino-1-methylpyrazole-3-carboxamide;tert-butyl N-[4-[6-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamoyl]-2-pyridinyl]-2-pyridinyl]-N-(cyclopropylmethyl)carbamate;6-[2-[cyclopropylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-pyridinyl]pyridine-2-carboxylic acid
CID 159191145
5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-ethylpyrazole-3-carboxamide;1-ethylpyrazole-3-carboxylic acid;methane
CID 167541868
5-[(3,4-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,4-difluorophenyl)methyl]-2-pyridinyl]-1-methylpyrazole-3-carboxamide;methane;1-methylpyrazole-3-carboxylic acid
CID 167602540

Frequently Asked Questions

What is the IUPAC name of magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide?
The IUPAC name of magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide (CID 158345714) is magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide.
What is the SMILES notation for magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide?
The canonical SMILES for magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide is Br.CC(=O)c1c(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)cnn1C.Cn1ncc(NC(=O)c2ccnc(Nc3ccc(C(F)(F)F)cn3)c2)c1C(C)(O)C1CC1.[CH-]1CC1.[H-].[Mg+2].
What is the InChIKey of magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide?
The InChIKey is DNUZCXNMDIBVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6O2.C18H15F3N6O2.C3H5.BrH.Mg.H/c1-20(32,13-3-4-13)18-15(11-27-30(18)2)28-19(31)12-7-8-25-17(9-12)29-16-6-5-14(10-26-16)21(22,23)24;1-10(28)16-13(9-24-27(16)2)25-17(29)11-5-6-22-15(7-11)26-14-4-3-12(8-23-14)18(19,20)21;1-2-3-1;;;/h5-11,13,32H,3-4H2,1-2H3,(H,28,31)(H,25,26,29);3-9H,1-2H3,(H,25,29)(H,22,23,26);1H,2-3H2;1H;;/q;;-1;;+2;-1.
What are the key properties of magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide?
magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide has a molecular weight of 998.08 g/mol, XLogP of 8.56, 11 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;N-(5-acetyl-1-methylpyrazol-4-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;cyclopropane;N-[5-(1-cyclopropyl-1-hydroxyethyl)-1-methylpyrazol-4-yl]-2-[[5-(trifluoromethyl)-2-pyridinyl]amino]pyridine-4-carboxamide;hydride;hydrobromide is sourced from PubChem (CID 158345714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).