3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C166H132Br9ClF2N52O4 — CID 158896711

IUPAC3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(Nc3cccnc3)cc(-c3ccccc3)nc12.Brc1cnn2c(Nc3cccnc3)cc(-c3ccco3)nc12.Brc1cnn2c(Nc3ccncc3)cc(-c3ccccc3)nc12.Brc1cnn2c(Nc3ccncc3)cc(-c3ccco3)nc12.CC(C)[C@@H](CO)Nc1cc(Nc2cccnc2)n2ncc(Br)c2n1.CC(C)[C@H](CO)Nc1cc(Nc2cccnc2)n2ncc(Br)c2n1.CCc1cnn2c(Nc3cccnc3)cc(-c3ccccc3)nc12.Clc1ccccc1-c1cc(Nc2ccncc2)n2ncc(Br)c2n1.Fc1ccccc1-c1cc(Nc2cccnc2)n2ncc(Br)c2n1.Fc1ccccc1-c1cc(Nc2ccncc2)n2ncc(Br)c2n1
InChIInChI=1S/C19H17N5.C17H11BrClN5.2C17H11BrFN5.2C17H12BrN5.2C16H19BrN6O.2C15H10BrN5O/c1-2-14-12-21-24-18(22-16-9-6-10-20-13-16)11-17(23-19(14)24)15-7-4-3-5-8-15;18-13-10-21-24-16(22-11-5-7-20-8-6-11)9-15(23-17(13)24)12-3-1-2-4-14(12)19;18-13-10-21-24-16(22-11-4-3-7-20-9-11)8-15(23-17(13)24)12-5-1-2-6-14(12)19;18-13-10-21-24-16(22-11-5-7-20-8-6-11)9-15(23-17(13)24)12-3-1-2-4-14(12)19;18-14-11-20-23-16(21-13-7-4-8-19-10-13)9-15(22-17(14)23)12-5-2-1-3-6-12;18-14-11-20-23-16(21-13-6-8-19-9-7-13)10-15(22-17(14)23)12-4-2-1-3-5-12;2*1-10(2)13(9-24)21-14-6-15(20-11-4-3-5-18-7-11)23-16(22-14)12(17)8-19-23;16-11-9-18-21-14(19-10-3-1-5-17-8-10)7-12(20-15(11)21)13-4-2-6-22-13;16-11-9-18-21-14(19-10-3-5-17-6-4-10)8-12(20-15(11)21)13-2-1-7-22-13/h3-13,22H,2H2,1H3;1-10H,(H,20,22);1-10,22H;1-10H,(H,20,22);1-11,21H;1-11H,(H,19,21);2*3-8,10,13,20,24H,9H2,1-2H3,(H,21,22);1-9,19H;1-9H,(H,17,19)/t;;;;;;2*13-;;/m......10../s1
InChIKeyJEXQDCYTEHXVLT-HCAZFEGOSA-N
MW3711.83 g/mol
LogP40.42
Rot. Bonds37

About 3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158896711) has the molecular formula C166H132Br9ClF2N52O4 and a molecular weight of 3711.83 g/mol. Its IUPAC name is 3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID158896711
Molecular FormulaC166H132Br9ClF2N52O4
Molecular Weight3711.83 g/mol
Exact Mass3700.40
IUPAC Name3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESBrc1cnn2c(Nc3cccnc3)cc(-c3ccccc3)nc12.Brc1cnn2c(Nc3cccnc3)cc(-c3ccco3)nc12.Brc1cnn2c(Nc3ccncc3)cc(-c3ccccc3)nc12.Brc1cnn2c(Nc3ccncc3)cc(-c3ccco3)nc12.CC(C)[C@@H](CO)Nc1cc(Nc2cccnc2)n2ncc(Br)c2n1.CC(C)[C@H](CO)Nc1cc(Nc2cccnc2)n2ncc(Br)c2n1.CCc1cnn2c(Nc3cccnc3)cc(-c3ccccc3)nc12.Clc1ccccc1-c1cc(Nc2ccncc2)n2ncc(Br)c2n1.Fc1ccccc1-c1cc(Nc2cccnc2)n2ncc(Br)c2n1.Fc1ccccc1-c1cc(Nc2ccncc2)n2ncc(Br)c2n1
InChIInChI=1S/C19H17N5.C17H11BrClN5.2C17H11BrFN5.2C17H12BrN5.2C16H19BrN6O.2C15H10BrN5O/c1-2-14-12-21-24-18(22-16-9-6-10-20-13-16)11-17(23-19(14)24)15-7-4-3-5-8-15;18-13-10-21-24-16(22-11-5-7-20-8-6-11)9-15(23-17(13)24)12-3-1-2-4-14(12)19;18-13-10-21-24-16(22-11-4-3-7-20-9-11)8-15(23-17(13)24)12-5-1-2-6-14(12)19;18-13-10-21-24-16(22-11-5-7-20-8-6-11)9-15(23-17(13)24)12-3-1-2-4-14(12)19;18-14-11-20-23-16(21-13-7-4-8-19-10-13)9-15(22-17(14)23)12-5-2-1-3-6-12;18-14-11-20-23-16(21-13-6-8-19-9-7-13)10-15(22-17(14)23)12-4-2-1-3-5-12;2*1-10(2)13(9-24)21-14-6-15(20-11-4-3-5-18-7-11)23-16(22-14)12(17)8-19-23;16-11-9-18-21-14(19-10-3-1-5-17-8-10)7-12(20-15(11)21)13-4-2-6-22-13;16-11-9-18-21-14(19-10-3-5-17-6-4-10)8-12(20-15(11)21)13-2-1-7-22-13/h3-13,22H,2H2,1H3;1-10H,(H,20,22);1-10,22H;1-10H,(H,20,22);1-11,21H;1-11H,(H,19,21);2*3-8,10,13,20,24H,9H2,1-2H3,(H,21,22);1-9,19H;1-9H,(H,17,19)/t;;;;;;2*13-;;/m......10../s1
InChIKeyJEXQDCYTEHXVLT-HCAZFEGOSA-N
XLogP40.42
TPSA641.90 Ų
H-Bond Donors14
H-Bond Acceptors56
Rotatable Bonds37
Heavy Atoms234
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003711.83
LogP ≤ 540.42
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1056

Analyze 3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 158896711) is 3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is Brc1cnn2c(Nc3cccnc3)cc(-c3ccccc3)nc12.Brc1cnn2c(Nc3cccnc3)cc(-c3ccco3)nc12.Brc1cnn2c(Nc3ccncc3)cc(-c3ccccc3)nc12.Brc1cnn2c(Nc3ccncc3)cc(-c3ccco3)nc12.CC(C)[C@@H](CO)Nc1cc(Nc2cccnc2)n2ncc(Br)c2n1.CC(C)[C@H](CO)Nc1cc(Nc2cccnc2)n2ncc(Br)c2n1.CCc1cnn2c(Nc3cccnc3)cc(-c3ccccc3)nc12.Clc1ccccc1-c1cc(Nc2ccncc2)n2ncc(Br)c2n1.Fc1ccccc1-c1cc(Nc2cccnc2)n2ncc(Br)c2n1.Fc1ccccc1-c1cc(Nc2ccncc2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is JEXQDCYTEHXVLT-HCAZFEGOSA-N. The full InChI is InChI=1S/C19H17N5.C17H11BrClN5.2C17H11BrFN5.2C17H12BrN5.2C16H19BrN6O.2C15H10BrN5O/c1-2-14-12-21-24-18(22-16-9-6-10-20-13-16)11-17(23-19(14)24)15-7-4-3-5-8-15;18-13-10-21-24-16(22-11-5-7-20-8-6-11)9-15(23-17(13)24)12-3-1-2-4-14(12)19;18-13-10-21-24-16(22-11-4-3-7-20-9-11)8-15(23-17(13)24)12-5-1-2-6-14(12)19;18-13-10-21-24-16(22-11-5-7-20-8-6-11)9-15(23-17(13)24)12-3-1-2-4-14(12)19;18-14-11-20-23-16(21-13-7-4-8-19-10-13)9-15(22-17(14)23)12-5-2-1-3-6-12;18-14-11-20-23-16(21-13-6-8-19-9-7-13)10-15(22-17(14)23)12-4-2-1-3-5-12;2*1-10(2)13(9-24)21-14-6-15(20-11-4-3-5-18-7-11)23-16(22-14)12(17)8-19-23;16-11-9-18-21-14(19-10-3-1-5-17-8-10)7-12(20-15(11)21)13-4-2-6-22-13;16-11-9-18-21-14(19-10-3-5-17-6-4-10)8-12(20-15(11)21)13-2-1-7-22-13/h3-13,22H,2H2,1H3;1-10H,(H,20,22);1-10,22H;1-10H,(H,20,22);1-11,21H;1-11H,(H,19,21);2*3-8,10,13,20,24H,9H2,1-2H3,(H,21,22);1-9,19H;1-9H,(H,17,19)/t;;;;;;2*13-;;/m......10../s1.
What are the key properties of 3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 3711.83 g/mol, XLogP of 40.42, 37 rotatable bonds, 14 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(2-chlorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(2-fluorophenyl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-2-yl)-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-phenyl-N-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;(2S)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;(2R)-2-[[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-methylbutan-1-ol;3-ethyl-5-phenyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158896711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).