sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane

C57H55Cl3F18N15NaO3 — CID 159488107

IUPACsodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane
SMILESCC(=O)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.CC(O)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.CCC(C)C.COC(C)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.[H-].[Na+]
InChIInChI=1S/C18H16ClF6N5O.C17H14ClF6N5O.C17H12ClF6N5O.C5H12.Na.H/c1-8(31-3)10-7-27-30-15(10)29-14(19)12(16(30)28-9(2)17(20,21)22)13-11(18(23,24)25)5-4-6-26-13;2*1-7(30)9-6-26-29-14(9)28-13(18)11(15(29)27-8(2)16(19,20)21)12-10(17(22,23)24)4-3-5-25-12;1-4-5(2)3;;/h4-9,28H,1-3H3;3-8,27,30H,1-2H3;3-6,8,27H,1-2H3;5H,4H2,1-3H3;;/q;;;;+1;-1
InChIKeyFOJJRIVUDBKRDN-UHFFFAOYSA-N
MW1469.48 g/mol
LogP14.61
Rot. Bonds14

About sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane

sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane (PubChem CID 159488107) has the molecular formula C57H55Cl3F18N15NaO3 and a molecular weight of 1469.48 g/mol. Its IUPAC name is sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane.

Molecular Properties

Compound Namesodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane
PubChem CID159488107
Molecular FormulaC57H55Cl3F18N15NaO3
Molecular Weight1469.48 g/mol
Exact Mass1467.33
IUPAC Namesodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane
SMILESCC(=O)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.CC(O)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.CCC(C)C.COC(C)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.[H-].[Na+]
InChIInChI=1S/C18H16ClF6N5O.C17H14ClF6N5O.C17H12ClF6N5O.C5H12.Na.H/c1-8(31-3)10-7-27-30-15(10)29-14(19)12(16(30)28-9(2)17(20,21)22)13-11(18(23,24)25)5-4-6-26-13;2*1-7(30)9-6-26-29-14(9)28-13(18)11(15(29)27-8(2)16(19,20)21)12-10(17(22,23)24)4-3-5-25-12;1-4-5(2)3;;/h4-9,28H,1-3H3;3-8,27,30H,1-2H3;3-6,8,27H,1-2H3;5H,4H2,1-3H3;;/q;;;;+1;-1
InChIKeyFOJJRIVUDBKRDN-UHFFFAOYSA-N
XLogP14.61
TPSA211.86 Ų
H-Bond Donors4
H-Bond Acceptors18
Rotatable Bonds14
Heavy Atoms97
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001469.48
LogP ≤ 514.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1018

Analyze sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane with MolForge

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Related Compounds

5-Chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 157698398
5-chloro-3-prop-1-en-2-yl-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;methyl(triphenyl)phosphanium;bromide
CID 160587073
1-(7-Chloro-5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)-2,2,2-trifluoroethanol;2,2,2-trifluoro-1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol
CID 160841082
5-Chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde;5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbonitrile;2-methylbutane
CID 162137924
5-chloro-3-[(Z)-methoxyiminomethyl]-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde;O-methylhydroxylamine;hydrochloride
CID 172957274
1-[5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;2-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propan-2-ol
CID 157766405
acetic acid;ethyl 5-[2-(2-ethenyl-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2S)-2-[5-fluoro-2-[2-(methylamino)ethyl]-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;methanamine
CID 157811411
7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-[7-[benzyl(methyl)amino]-5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone;1-[5-(5-chloro-1-propan-2-ylpyrrolo[2,3-b]pyridin-3-yl)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-fluorocyclopropyl]ethanone;cis-(1R,2S)-2-fluorocyclopropan-1-amine
CID 158362236
1-[5-Phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 158414220
lithium;3-cyclopentyl-5-fluoropyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[(2R)-2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydroxide
CID 159011367
Lithium;3-cyclopentyl-5-fluoropyridine;ethyl 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-(5-fluoro-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;hydroxide
CID 159011368
sodium;5-[2-[2-[(3R)-3-aminobut-1-en-2-yl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[2-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[2-[5-fluoro-2-(3-methylbut-1-en-2-yl)-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;(6R,14R)-9-fluoro-14-methyl-13-methylidene-2,11,15,19,20,23-hexazapentacyclo[15.5.2.02,6.07,12.020,24]tetracosa-1(23),7(12),8,10,17(24),18,21-heptaen-16-one;methane;4,4,5,5-tetramethyl-2-(3-methylbut-1-en-2-yl)-1,3,2-dioxaborolane;hydroxide;hydrochloride
CID 159947306

Frequently Asked Questions

What is the IUPAC name of sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane?
The IUPAC name of sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane (CID 159488107) is sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane.
What is the SMILES notation for sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane?
The canonical SMILES for sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane is CC(=O)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.CC(O)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.CCC(C)C.COC(C)c1cnn2c(NC(C)C(F)(F)F)c(-c3ncccc3C(F)(F)F)c(Cl)nc12.[H-].[Na+].
What is the InChIKey of sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane?
The InChIKey is FOJJRIVUDBKRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF6N5O.C17H14ClF6N5O.C17H12ClF6N5O.C5H12.Na.H/c1-8(31-3)10-7-27-30-15(10)29-14(19)12(16(30)28-9(2)17(20,21)22)13-11(18(23,24)25)5-4-6-26-13;2*1-7(30)9-6-26-29-14(9)28-13(18)11(15(29)27-8(2)16(19,20)21)12-10(17(22,23)24)4-3-5-25-12;1-4-5(2)3;;/h4-9,28H,1-3H3;3-8,27,30H,1-2H3;3-6,8,27H,1-2H3;5H,4H2,1-3H3;;/q;;;;+1;-1.
What are the key properties of sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane?
sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane has a molecular weight of 1469.48 g/mol, XLogP of 14.61, 14 rotatable bonds, 4 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-chloro-3-(1-methoxyethyl)-6-[3-(trifluoromethyl)-2-pyridinyl]-N-(1,1,1-trifluoropropan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanol;1-[5-chloro-6-[3-(trifluoromethyl)-2-pyridinyl]-7-(1,1,1-trifluoropropan-2-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;hydride;2-methylbutane is sourced from PubChem (CID 159488107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).