7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine

C83H89Cl4N18O5P — CID 159717711

IUPAC7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine
SMILESCC(C)c1c[nH]n2c(=O)cc(-c3cccnc3)nc12.CC(C)c1cn[nH]c1N.CC(C)c1cnn2c(Cl)cc(-c3cccnc3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)cc(-c3cccnc3)nc12.COC(=O)CC(=O)c1cccnc1.N[C@@H]1CCC2=C(C1)c1ccccc1C2.O=P(Cl)(Cl)Cl
InChIInChI=1S/C27H27N5.C14H13ClN4.C14H14N4O.C13H15N.C9H9NO3.C6H11N3.Cl3OP/c1-17(2)24-16-29-32-26(14-25(31-27(24)32)20-7-5-11-28-15-20)30-21-10-9-19-12-18-6-3-4-8-22(18)23(19)13-21;1-9(2)11-8-17-19-13(15)6-12(18-14(11)19)10-4-3-5-16-7-10;1-9(2)11-8-16-18-13(19)6-12(17-14(11)18)10-4-3-5-15-7-10;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-13-9(12)5-8(11)7-3-2-4-10-6-7;1-4(2)5-3-8-9-6(5)7;1-5(2,3)4/h3-8,11,14-17,21,30H,9-10,12-13H2,1-2H3;3-9H,1-2H3;3-9,16H,1-2H3;1-4,11H,5-8,14H2;2-4,6H,5H2,1H3;3-4H,1-2H3,(H3,7,8,9);/t21-;;;11-;;;/m1..1.../s1
InChIKeyIOYVTSVRHSMZQF-BLPUDUDASA-N
MW1591.53 g/mol
LogP18.93
Rot. Bonds12

About 7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine

7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine (PubChem CID 159717711) has the molecular formula C83H89Cl4N18O5P and a molecular weight of 1591.53 g/mol. Its IUPAC name is 7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine.

Molecular Properties

Compound Name7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine
PubChem CID159717711
Molecular FormulaC83H89Cl4N18O5P
Molecular Weight1591.53 g/mol
Exact Mass1588.58
IUPAC Name7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine
SMILESCC(C)c1c[nH]n2c(=O)cc(-c3cccnc3)nc12.CC(C)c1cn[nH]c1N.CC(C)c1cnn2c(Cl)cc(-c3cccnc3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)cc(-c3cccnc3)nc12.COC(=O)CC(=O)c1cccnc1.N[C@@H]1CCC2=C(C1)c1ccccc1C2.O=P(Cl)(Cl)Cl
InChIInChI=1S/C27H27N5.C14H13ClN4.C14H14N4O.C13H15N.C9H9NO3.C6H11N3.Cl3OP/c1-17(2)24-16-29-32-26(14-25(31-27(24)32)20-7-5-11-28-15-20)30-21-10-9-19-12-18-6-3-4-8-22(18)23(19)13-21;1-9(2)11-8-17-19-13(15)6-12(18-14(11)19)10-4-3-5-16-7-10;1-9(2)11-8-16-18-13(19)6-12(17-14(11)18)10-4-3-5-15-7-10;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-13-9(12)5-8(11)7-3-2-4-10-6-7;1-4(2)5-3-8-9-6(5)7;1-5(2,3)4/h3-8,11,14-17,21,30H,9-10,12-13H2,1-2H3;3-9H,1-2H3;3-9,16H,1-2H3;1-4,11H,5-8,14H2;2-4,6H,5H2,1H3;3-4H,1-2H3,(H3,7,8,9);/t21-;;;11-;;;/m1..1.../s1
InChIKeyIOYVTSVRHSMZQF-BLPUDUDASA-N
XLogP18.93
TPSA315.29 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds12
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001591.53
LogP ≤ 518.93
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine with MolForge

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Related Compounds

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;bis(methyl 3-(5-fluoro-3-pyridinyl)-2-methyl-3-oxopropanoate);4-methyl-1H-pyrazol-5-amine;oxido formate;phosphoryl trichloride
CID 157548718
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 157750532
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
acetic acid;7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;ethyl 3-(2-fluorophenyl)-3-oxopropanoate;5-(2-fluorophenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-(2-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;4H-imidazol-2-amine;phosphoryl trichloride;pyridin-4-amine
CID 159196909
2-chloropyridine-3-carbonyl chloride;1-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)ethanone;6-chloro-1,3,5-triazine-2,4-diamine;3-[(2-fluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridine;6-[3-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-1-yl]-1,3,5-triazine-2,4-diamine;methyl 3-(2-chloro-3-pyridinyl)-2-(2-fluorophenyl)-3-oxopropanoate;methyl 2-(2-fluorophenyl)acetate
CID 161053585
methane;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;bis(3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one);3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine
CID 161374608
acetic acid;7-chloro-5-(2-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine;ethyl 3-(2-fluorophenyl)-3-oxopropanoate;5-(2-fluorophenyl)-N-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine;5-(2-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;phosphoryl trichloride;pyridin-4-amine;1H-1,2,4-triazol-5-amine
CID 162235261

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine?
The IUPAC name of 7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine (CID 159717711) is 7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine.
What is the SMILES notation for 7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine?
The canonical SMILES for 7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine is CC(C)c1c[nH]n2c(=O)cc(-c3cccnc3)nc12.CC(C)c1cn[nH]c1N.CC(C)c1cnn2c(Cl)cc(-c3cccnc3)nc12.CC(C)c1cnn2c(N[C@@H]3CCC4=C(C3)c3ccccc3C4)cc(-c3cccnc3)nc12.COC(=O)CC(=O)c1cccnc1.N[C@@H]1CCC2=C(C1)c1ccccc1C2.O=P(Cl)(Cl)Cl.
What is the InChIKey of 7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine?
The InChIKey is IOYVTSVRHSMZQF-BLPUDUDASA-N. The full InChI is InChI=1S/C27H27N5.C14H13ClN4.C14H14N4O.C13H15N.C9H9NO3.C6H11N3.Cl3OP/c1-17(2)24-16-29-32-26(14-25(31-27(24)32)20-7-5-11-28-15-20)30-21-10-9-19-12-18-6-3-4-8-22(18)23(19)13-21;1-9(2)11-8-17-19-13(15)6-12(18-14(11)19)10-4-3-5-16-7-10;1-9(2)11-8-16-18-13(19)6-12(17-14(11)18)10-4-3-5-15-7-10;14-11-6-5-10-7-9-3-1-2-4-12(9)13(10)8-11;1-13-9(12)5-8(11)7-3-2-4-10-6-7;1-4(2)5-3-8-9-6(5)7;1-5(2,3)4/h3-8,11,14-17,21,30H,9-10,12-13H2,1-2H3;3-9H,1-2H3;3-9,16H,1-2H3;1-4,11H,5-8,14H2;2-4,6H,5H2,1H3;3-4H,1-2H3,(H3,7,8,9);/t21-;;;11-;;;/m1..1.../s1.
What are the key properties of 7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine?
7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine has a molecular weight of 1591.53 g/mol, XLogP of 18.93, 12 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-propan-2-yl-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;methyl 3-oxo-3-pyridin-3-ylpropanoate;phosphoryl trichloride;4-propan-2-yl-1H-pyrazol-5-amine;3-propan-2-yl-5-pyridin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one;3-propan-2-yl-5-pyridin-3-yl-N-[(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine;(3R)-2,3,4,9-tetrahydro-1H-fluoren-3-amine is sourced from PubChem (CID 159717711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).