3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
C142H130Br9N49O7 — CID 157119714
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
SMILESBrc1cnn2c(Nc3cccnc3)cc(-c3ccco3)nc12.Brc1cnn2c(Nc3cccnc3)cc(-c3ccoc3)nc12.Brc1cnn2c(Nc3cccnc3)cc(C3CCCCC3)nc12.Brc1cnn2c(Nc3cccnc3)cc(NC3CCCCC3)nc12.Brc1cnn2c(Nc3ccncc3)cc(-c3ccco3)nc12.Brc1cnn2c(Nc3ccncc3)cc(-c3ccoc3)nc12.CC(C)[C@@H](CO)Nc1cc(Nc2cccnc2)n2ncc(Br)c2n1.OC[C@@H]1CCCN1c1cc(Nc2cccnc2)n2ncc(Br)c2n1.OC[C@H]1CCCN1c1cc(Nc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C17H19BrN6.C17H18BrN5.2C16H17BrN6O.C16H19BrN6O.4C15H10BrN5O/c18-14-11-20-24-16(22-13-7-4-8-19-10-13)9-15(23-17(14)24)21-12-5-2-1-3-6-12;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;2*17-13-9-19-23-15(20-11-3-1-5-18-8-11)7-14(21-16(13)23)22-6-2-4-12(22)10-24;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;16-12-8-18-21-14(19-11-1-4-17-5-2-11)7-13(20-15(12)21)10-3-6-22-9-10;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;16-12-8-18-21-14(19-11-2-1-4-17-7-11)6-13(20-15(12)21)10-3-5-22-9-10/h4,7-12,22H,1-3,5-6H2,(H,21,23);4,7-12,21H,1-3,5-6H2;2*1,3,5,7-9,12,20,24H,2,4,6,10H2;3-8,10,13,20,24H,9H2,1-2H3,(H,21,22);1-9H,(H,17,19);1-9,19H;1-9H,(H,17,19);1-9,19H/t;;2*12-;13-;;;;/m..101..../s1
InChIKeyAHVCIVGIPIFINU-MWWSRSSXSA-N
MW3354.07 g/mol
LogP32.86
Rot. Bonds33
About 3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol (PubChem CID 157119714) has the molecular formula C142H130Br9N49O7 and a molecular weight of 3354.07 g/mol. Its IUPAC name is 3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol.
Molecular Properties
| Compound Name | 3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol |
|---|---|
| PubChem CID | 157119714 |
| Molecular Formula | C142H130Br9N49O7 |
| Molecular Weight | 3354.07 g/mol |
| Exact Mass | 3343.40 |
| IUPAC Name | 3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol |
| SMILES | Brc1cnn2c(Nc3cccnc3)cc(-c3ccco3)nc12.Brc1cnn2c(Nc3cccnc3)cc(-c3ccoc3)nc12.Brc1cnn2c(Nc3cccnc3)cc(C3CCCCC3)nc12.Brc1cnn2c(Nc3cccnc3)cc(NC3CCCCC3)nc12.Brc1cnn2c(Nc3ccncc3)cc(-c3ccco3)nc12.Brc1cnn2c(Nc3ccncc3)cc(-c3ccoc3)nc12.CC(C)[C@@H](CO)Nc1cc(Nc2cccnc2)n2ncc(Br)c2n1.OC[C@@H]1CCCN1c1cc(Nc2cccnc2)n2ncc(Br)c2n1.OC[C@H]1CCCN1c1cc(Nc2cccnc2)n2ncc(Br)c2n1 |
| InChI | InChI=1S/C17H19BrN6.C17H18BrN5.2C16H17BrN6O.C16H19BrN6O.4C15H10BrN5O/c18-14-11-20-24-16(22-13-7-4-8-19-10-13)9-15(23-17(14)24)21-12-5-2-1-3-6-12;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;2*17-13-9-19-23-15(20-11-3-1-5-18-8-11)7-14(21-16(13)23)22-6-2-4-12(22)10-24;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;16-12-8-18-21-14(19-11-1-4-17-5-2-11)7-13(20-15(12)21)10-3-6-22-9-10;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;16-12-8-18-21-14(19-11-2-1-4-17-7-11)6-13(20-15(12)21)10-3-5-22-9-10/h4,7-12,22H,1-3,5-6H2,(H,21,23);4,7-12,21H,1-3,5-6H2;2*1,3,5,7-9,12,20,24H,2,4,6,10H2;3-8,10,13,20,24H,9H2,1-2H3,(H,21,22);1-9H,(H,17,19);1-9,19H;1-9H,(H,17,19);1-9,19H/t;;2*12-;13-;;;;/m..101..../s1 |
| InChIKey | AHVCIVGIPIFINU-MWWSRSSXSA-N |
| XLogP | 32.86 |
| TPSA | 639.78 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 56 |
| Rotatable Bonds | 33 |
| Heavy Atoms | 207 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3354.07 |
| LogP ≤ 5 | 32.86 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 56 |
Frequently Asked Questions
What is the IUPAC name of 3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
The IUPAC name of 3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol (CID 157119714) is 3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for 3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
The canonical SMILES for 3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol is Brc1cnn2c(Nc3cccnc3)cc(-c3ccco3)nc12.Brc1cnn2c(Nc3cccnc3)cc(-c3ccoc3)nc12.Brc1cnn2c(Nc3cccnc3)cc(C3CCCCC3)nc12.Brc1cnn2c(Nc3cccnc3)cc(NC3CCCCC3)nc12.Brc1cnn2c(Nc3ccncc3)cc(-c3ccco3)nc12.Brc1cnn2c(Nc3ccncc3)cc(-c3ccoc3)nc12.CC(C)[C@@H](CO)Nc1cc(Nc2cccnc2)n2ncc(Br)c2n1.OC[C@@H]1CCCN1c1cc(Nc2cccnc2)n2ncc(Br)c2n1.OC[C@H]1CCCN1c1cc(Nc2cccnc2)n2ncc(Br)c2n1.
What is the InChIKey of 3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
The InChIKey is AHVCIVGIPIFINU-MWWSRSSXSA-N. The full InChI is InChI=1S/C17H19BrN6.C17H18BrN5.2C16H17BrN6O.C16H19BrN6O.4C15H10BrN5O/c18-14-11-20-24-16(22-13-7-4-8-19-10-13)9-15(23-17(14)24)21-12-5-2-1-3-6-12;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;2*17-13-9-19-23-15(20-11-3-1-5-18-8-11)7-14(21-16(13)23)22-6-2-4-12(22)10-24;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;16-12-8-18-21-14(19-11-1-4-17-5-2-11)7-13(20-15(12)21)10-3-6-22-9-10;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;16-12-8-18-21-14(19-11-2-1-4-17-7-11)6-13(20-15(12)21)10-3-5-22-9-10/h4,7-12,22H,1-3,5-6H2,(H,21,23);4,7-12,21H,1-3,5-6H2;2*1,3,5,7-9,12,20,24H,2,4,6,10H2;3-8,10,13,20,24H,9H2,1-2H3,(H,21,22);1-9H,(H,17,19);1-9,19H;1-9H,(H,17,19);1-9,19H/t;;2*12-;13-;;;;/m..101..../s1.
What are the key properties of 3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol?
3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol has a molecular weight of 3354.07 g/mol, XLogP of 32.86, 33 rotatable bonds, 14 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-cyclohexyl-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-N-cyclohexyl-7-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidine-5,7-diamine;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-(furan-3-yl)-N-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-(furan-3-yl)-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;[(2S)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol;[(2R)-1-[3-bromo-7-(pyridin-3-ylamino)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 157119714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157119714 — identifiers, structure, computed properties (public domain)
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