7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C48H37ClF10N10 — CID 157225370

IUPAC7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC1=C(CCN)c2cccc(F)c2C1.CC1=C(CCNc2cc(-c3cncc(F)c3)nc3c(C(F)(F)F)cnn23)c2cccc(F)c2C1.Fc1cncc(-c2cc(Cl)n3ncc(C(F)(F)F)c3n2)c1
InChIInChI=1S/C24H18F5N5.C12H5ClF4N4.C12H14FN/c1-13-7-18-17(3-2-4-20(18)26)16(13)5-6-31-22-9-21(14-8-15(25)11-30-10-14)33-23-19(24(27,28)29)12-32-34(22)23;13-10-2-9(6-1-7(14)4-18-3-6)20-11-8(12(15,16)17)5-19-21(10)11;1-8-7-11-10(9(8)5-6-14)3-2-4-12(11)13/h2-4,8-12,31H,5-7H2,1H3;1-5H;2-4H,5-7,14H2,1H3
InChIKeyATLYFJBNAMXBPG-UHFFFAOYSA-N
MW979.33 g/mol
LogP12.03
Rot. Bonds8

About 7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine

7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157225370) has the molecular formula C48H37ClF10N10 and a molecular weight of 979.33 g/mol. Its IUPAC name is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID157225370
Molecular FormulaC48H37ClF10N10
Molecular Weight979.33 g/mol
Exact Mass978.27
IUPAC Name7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCC1=C(CCN)c2cccc(F)c2C1.CC1=C(CCNc2cc(-c3cncc(F)c3)nc3c(C(F)(F)F)cnn23)c2cccc(F)c2C1.Fc1cncc(-c2cc(Cl)n3ncc(C(F)(F)F)c3n2)c1
InChIInChI=1S/C24H18F5N5.C12H5ClF4N4.C12H14FN/c1-13-7-18-17(3-2-4-20(18)26)16(13)5-6-31-22-9-21(14-8-15(25)11-30-10-14)33-23-19(24(27,28)29)12-32-34(22)23;13-10-2-9(6-1-7(14)4-18-3-6)20-11-8(12(15,16)17)5-19-21(10)11;1-8-7-11-10(9(8)5-6-14)3-2-4-12(11)13/h2-4,8-12,31H,5-7H2,1H3;1-5H;2-4H,5-7,14H2,1H3
InChIKeyATLYFJBNAMXBPG-UHFFFAOYSA-N
XLogP12.03
TPSA124.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500979.33
LogP ≤ 512.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
3-(4-chlorophenyl)-2,5-dimethyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 3266722
3-(4-chlorophenyl)-5-methyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 1835852
4-[5-chloro-2-(4-fluorophenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]-N-cyclopentylpyrimidin-2-amine
CID 9935331
N-{4-[5-chloro-7-(cyclopentylamino)-2-(4-fluorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-2-pyrimidinyl}-N-cyclopentylamine
CID 10278127
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224162
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224368
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-N-(pyridin-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24824518
(R)-3-(6-(1-(4-chlorophenyl)ethylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44158549
3-(6-(4-Chlorobenzylamino)pyrimidin-4-yl)pyrazolo[1,5-a]pyrimidin-2-amine
CID 44159711
2-(2-Chloro-6-fluoro-phenyl)-5-(2-methyl-5-trifluoromethyl-2H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 71603470
8-(5-chloro-3-pyridinyl)-N-(1-ethyl-4,5,6,7-tetrahydroindazol-5-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 142607816

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 157225370) is 7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CC1=C(CCN)c2cccc(F)c2C1.CC1=C(CCNc2cc(-c3cncc(F)c3)nc3c(C(F)(F)F)cnn23)c2cccc(F)c2C1.Fc1cncc(-c2cc(Cl)n3ncc(C(F)(F)F)c3n2)c1.
What is the InChIKey of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ATLYFJBNAMXBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N5.C12H5ClF4N4.C12H14FN/c1-13-7-18-17(3-2-4-20(18)26)16(13)5-6-31-22-9-21(14-8-15(25)11-30-10-14)33-23-19(24(27,28)29)12-32-34(22)23;13-10-2-9(6-1-7(14)4-18-3-6)20-11-8(12(15,16)17)5-19-21(10)11;1-8-7-11-10(9(8)5-6-14)3-2-4-12(11)13/h2-4,8-12,31H,5-7H2,1H3;1-5H;2-4H,5-7,14H2,1H3.
What are the key properties of 7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 979.33 g/mol, XLogP of 12.03, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-(4-fluoro-2-methyl-3H-inden-1-yl)ethanamine;N-[2-(4-fluoro-2-methyl-3H-inden-1-yl)ethyl]-5-(5-fluoro-3-pyridinyl)-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157225370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).