dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride

C88H97Cl4F5IK2N20O11P — CID 158007722

IUPACdipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride
SMILESC.C.C.CI.COC(=O)C(C)C(=O)c1cncc(F)c1.COC(=O)CC(=O)c1cncc(F)c1.Cc1c(-c2cncc(F)c2)nc2c(C)c[nH]n2c1=O.Cc1c(-c2cncc(F)c2)nc2c(C)cnn2c1Cl.Cc1c(-c2cncc(F)c2)nc2c(C)cnn2c1NCCC1=CCc2ccccc21.Cc1cn[nH]c1N.NCCc1c[nH]c2ccccc12.O=CO[O-].O=P(Cl)(Cl)Cl.[H-].[K+].[K+]
InChIInChI=1S/C24H22FN5.C13H10ClFN4.C13H11FN4O.C10H10FNO3.C10H12N2.C9H8FNO3.C4H7N3.CH3I.CH2O3.3CH4.Cl3OP.2K.H/c1-15-12-28-30-23(15)29-22(19-11-20(25)14-26-13-19)16(2)24(30)27-10-9-18-8-7-17-5-3-4-6-21(17)18;1-7-4-17-19-12(14)8(2)11(18-13(7)19)9-3-10(15)6-16-5-9;1-7-4-16-18-12(7)17-11(8(2)13(18)19)9-3-10(14)6-15-5-9;1-6(10(14)15-2)9(13)7-3-8(11)5-12-4-7;11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-14-9(13)3-8(12)6-2-7(10)5-11-4-6;1-3-2-6-7-4(3)5;1-2;2-1-4-3;;;;1-5(2,3)4;;;/h3-6,8,11-14,27H,7,9-10H2,1-2H3;3-6H,1-2H3;3-6,16H,1-2H3;3-6H,1-2H3;1-4,7,12H,5-6,11H2;2,4-5H,3H2,1H3;2H,1H3,(H3,5,6,7);1H3;1,3H;3*1H4;;;;/q;;;;;;;;;;;;;2*+1;-1/p-1
InChIKeyJPPCNEISIQTBTF-UHFFFAOYSA-M
MW2083.75 g/mol
LogP12.50
Rot. Bonds16

About dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride

dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride (PubChem CID 158007722) has the molecular formula C88H97Cl4F5IK2N20O11P and a molecular weight of 2083.75 g/mol. Its IUPAC name is dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride.

Molecular Properties

Compound Namedipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride
PubChem CID158007722
Molecular FormulaC88H97Cl4F5IK2N20O11P
Molecular Weight2083.75 g/mol
Exact Mass2080.44
IUPAC Namedipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride
SMILESC.C.C.CI.COC(=O)C(C)C(=O)c1cncc(F)c1.COC(=O)CC(=O)c1cncc(F)c1.Cc1c(-c2cncc(F)c2)nc2c(C)c[nH]n2c1=O.Cc1c(-c2cncc(F)c2)nc2c(C)cnn2c1Cl.Cc1c(-c2cncc(F)c2)nc2c(C)cnn2c1NCCC1=CCc2ccccc21.Cc1cn[nH]c1N.NCCc1c[nH]c2ccccc12.O=CO[O-].O=P(Cl)(Cl)Cl.[H-].[K+].[K+]
InChIInChI=1S/C24H22FN5.C13H10ClFN4.C13H11FN4O.C10H10FNO3.C10H12N2.C9H8FNO3.C4H7N3.CH3I.CH2O3.3CH4.Cl3OP.2K.H/c1-15-12-28-30-23(15)29-22(19-11-20(25)14-26-13-19)16(2)24(30)27-10-9-18-8-7-17-5-3-4-6-21(17)18;1-7-4-17-19-12(14)8(2)11(18-13(7)19)9-3-10(15)6-16-5-9;1-7-4-16-18-12(7)17-11(8(2)13(18)19)9-3-10(14)6-15-5-9;1-6(10(14)15-2)9(13)7-3-8(11)5-12-4-7;11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-14-9(13)3-8(12)6-2-7(10)5-11-4-6;1-3-2-6-7-4(3)5;1-2;2-1-4-3;;;;1-5(2,3)4;;;/h3-6,8,11-14,27H,7,9-10H2,1-2H3;3-6H,1-2H3;3-6,16H,1-2H3;3-6H,1-2H3;1-4,7,12H,5-6,11H2;2,4-5H,3H2,1H3;2H,1H3,(H3,5,6,7);1H3;1,3H;3*1H4;;;;/q;;;;;;;;;;;;;2*+1;-1/p-1
InChIKeyJPPCNEISIQTBTF-UHFFFAOYSA-M
XLogP12.50
TPSA436.70 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds16
Heavy Atoms132
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002083.75
LogP ≤ 512.50
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride?
The IUPAC name of dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride (CID 158007722) is dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride.
What is the SMILES notation for dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride?
The canonical SMILES for dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride is C.C.C.CI.COC(=O)C(C)C(=O)c1cncc(F)c1.COC(=O)CC(=O)c1cncc(F)c1.Cc1c(-c2cncc(F)c2)nc2c(C)c[nH]n2c1=O.Cc1c(-c2cncc(F)c2)nc2c(C)cnn2c1Cl.Cc1c(-c2cncc(F)c2)nc2c(C)cnn2c1NCCC1=CCc2ccccc21.Cc1cn[nH]c1N.NCCc1c[nH]c2ccccc12.O=CO[O-].O=P(Cl)(Cl)Cl.[H-].[K+].[K+].
What is the InChIKey of dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride?
The InChIKey is JPPCNEISIQTBTF-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H22FN5.C13H10ClFN4.C13H11FN4O.C10H10FNO3.C10H12N2.C9H8FNO3.C4H7N3.CH3I.CH2O3.3CH4.Cl3OP.2K.H/c1-15-12-28-30-23(15)29-22(19-11-20(25)14-26-13-19)16(2)24(30)27-10-9-18-8-7-17-5-3-4-6-21(17)18;1-7-4-17-19-12(14)8(2)11(18-13(7)19)9-3-10(15)6-16-5-9;1-7-4-16-18-12(7)17-11(8(2)13(18)19)9-3-10(14)6-15-5-9;1-6(10(14)15-2)9(13)7-3-8(11)5-12-4-7;11-6-5-8-7-12-10-4-2-1-3-9(8)10;1-14-9(13)3-8(12)6-2-7(10)5-11-4-6;1-3-2-6-7-4(3)5;1-2;2-1-4-3;;;;1-5(2,3)4;;;/h3-6,8,11-14,27H,7,9-10H2,1-2H3;3-6H,1-2H3;3-6,16H,1-2H3;3-6H,1-2H3;1-4,7,12H,5-6,11H2;2,4-5H,3H2,1H3;2H,1H3,(H3,5,6,7);1H3;1,3H;3*1H4;;;;/q;;;;;;;;;;;;;2*+1;-1/p-1.
What are the key properties of dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride?
dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride has a molecular weight of 2083.75 g/mol, XLogP of 12.50, 16 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for dipotassium;7-chloro-5-(5-fluoro-3-pyridinyl)-3,6-dimethylpyrazolo[1,5-a]pyrimidine;5-(5-fluoro-3-pyridinyl)-3,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one;5-(5-fluoro-3-pyridinyl)-N-[2-(3H-inden-1-yl)ethyl]-3,6-dimethylpyrazolo[1,5-a]pyrimidin-7-amine;hydride;2-(1H-indol-3-yl)ethanamine;iodomethane;methane;methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate;methyl 3-(5-fluoro-3-pyridinyl)-3-oxopropanoate;4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride is sourced from PubChem (CID 158007722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).