(2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate

C77H91Br4N25O5 — CID 160974629

IUPAC(2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC[C@H]1Nc1cc(NCc2cccnc2)n2ncc(Br)c2n1.NC(=O)C1CCCC[C@H]1Nc1cc(NCc2cccnc2)n2ncc(Br)c2n1.OCC1(Nc2cc(NCc3cccnc3)n3ncc(Br)c3n2)CCCC1.OC[C@@H]1CCCC[C@H]1Nc1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C21H25BrN6O2.C19H22BrN7O.C19H23BrN6O.C18H21BrN6O/c1-2-30-21(29)15-7-3-4-8-17(15)26-18-10-19(24-12-14-6-5-9-23-11-14)28-20(27-18)16(22)13-25-28;20-14-11-24-27-17(23-10-12-4-3-7-22-9-12)8-16(26-19(14)27)25-15-6-2-1-5-13(15)18(21)28;20-15-11-23-26-18(22-10-13-4-3-7-21-9-13)8-17(25-19(15)26)24-16-6-2-1-5-14(16)12-27;19-14-11-22-25-16(21-10-13-4-3-7-20-9-13)8-15(23-17(14)25)24-18(12-26)5-1-2-6-18/h5-6,9-11,13,15,17,24H,2-4,7-8,12H2,1H3,(H,26,27);3-4,7-9,11,13,15,23H,1-2,5-6,10H2,(H2,21,28)(H,25,26);3-4,7-9,11,14,16,22,27H,1-2,5-6,10,12H2,(H,24,25);3-4,7-9,11,21,26H,1-2,5-6,10,12H2,(H,23,24)/t15?,17-;13?,15-;14-,16+;/m110./s1
InChIKeySYRUNXJCECOOEA-LWPMKELLSA-N
MW1766.36 g/mol
LogP13.67
Rot. Bonds25

About (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate

(2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate (PubChem CID 160974629) has the molecular formula C77H91Br4N25O5 and a molecular weight of 1766.36 g/mol. Its IUPAC name is (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Name(2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate
PubChem CID160974629
Molecular FormulaC77H91Br4N25O5
Molecular Weight1766.36 g/mol
Exact Mass1761.44
IUPAC Name(2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC[C@H]1Nc1cc(NCc2cccnc2)n2ncc(Br)c2n1.NC(=O)C1CCCC[C@H]1Nc1cc(NCc2cccnc2)n2ncc(Br)c2n1.OCC1(Nc2cc(NCc3cccnc3)n3ncc(Br)c3n2)CCCC1.OC[C@@H]1CCCC[C@H]1Nc1cc(NCc2cccnc2)n2ncc(Br)c2n1
InChIInChI=1S/C21H25BrN6O2.C19H22BrN7O.C19H23BrN6O.C18H21BrN6O/c1-2-30-21(29)15-7-3-4-8-17(15)26-18-10-19(24-12-14-6-5-9-23-11-14)28-20(27-18)16(22)13-25-28;20-14-11-24-27-17(23-10-12-4-3-7-22-9-12)8-16(26-19(14)27)25-15-6-2-1-5-13(15)18(21)28;20-15-11-23-26-18(22-10-13-4-3-7-21-9-13)8-17(25-19(15)26)24-16-6-2-1-5-14(16)12-27;19-14-11-22-25-16(21-10-13-4-3-7-20-9-13)8-15(23-17(14)25)24-18(12-26)5-1-2-6-18/h5-6,9-11,13,15,17,24H,2-4,7-8,12H2,1H3,(H,26,27);3-4,7-9,11,13,15,23H,1-2,5-6,10H2,(H2,21,28)(H,25,26);3-4,7-9,11,14,16,22,27H,1-2,5-6,10,12H2,(H,24,25);3-4,7-9,11,21,26H,1-2,5-6,10,12H2,(H,23,24)/t15?,17-;13?,15-;14-,16+;/m110./s1
InChIKeySYRUNXJCECOOEA-LWPMKELLSA-N
XLogP13.67
TPSA378.41 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001766.36
LogP ≤ 513.67
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Analyze (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 11154670
[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;tert-butyl N-[3-bromo-5-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(pyridin-3-ylmethyl)carbamate
CID 157367955
3-bromo-5-N-cyclohexyl-7-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-5,7-diamine
CID 21067210
[(1S,2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]methyl]cyclohexyl]methanol;tert-butyl N-[3-bromo-5-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methyl]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(pyridin-3-ylmethyl)carbamate
CID 158022459
prop-1-en-2-yl N-[3-bromo-5-[[(1R,2S)-2-(hydroxymethyl)cyclohexyl]amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(pyridin-3-ylmethyl)carbamate
CID 89373654
3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-methylbenzimidazol-5-yl)methyl]-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;[(1R,2S)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 161390291
2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-methylpropan-1-ol
CID 11292240
4-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-cyclohexylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[[3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-1H-pyridin-2-one;4-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;5-[[(3-bromo-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one;[(1S,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;4-[[(3-ethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]-1H-pyridin-2-one
CID 159124066
(2R)-2-amino-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]ethanol
CID 70806600
[(1R,2S)-2-[[3-bromo-7-[3-(dimethylamino)propylamino]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 58853443
[4-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-(1-phenylcyclopentyl)methanone
CID 21066131
2-[(1S)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]propan-2-ol
CID 58781382

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate?
The IUPAC name of (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate (CID 160974629) is (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate is CCOC(=O)C1CCCC[C@H]1Nc1cc(NCc2cccnc2)n2ncc(Br)c2n1.NC(=O)C1CCCC[C@H]1Nc1cc(NCc2cccnc2)n2ncc(Br)c2n1.OCC1(Nc2cc(NCc3cccnc3)n3ncc(Br)c3n2)CCCC1.OC[C@@H]1CCCC[C@H]1Nc1cc(NCc2cccnc2)n2ncc(Br)c2n1.
What is the InChIKey of (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate?
The InChIKey is SYRUNXJCECOOEA-LWPMKELLSA-N. The full InChI is InChI=1S/C21H25BrN6O2.C19H22BrN7O.C19H23BrN6O.C18H21BrN6O/c1-2-30-21(29)15-7-3-4-8-17(15)26-18-10-19(24-12-14-6-5-9-23-11-14)28-20(27-18)16(22)13-25-28;20-14-11-24-27-17(23-10-12-4-3-7-22-9-12)8-16(26-19(14)27)25-15-6-2-1-5-13(15)18(21)28;20-15-11-23-26-18(22-10-13-4-3-7-21-9-13)8-17(25-19(15)26)24-16-6-2-1-5-14(16)12-27;19-14-11-22-25-16(21-10-13-4-3-7-20-9-13)8-15(23-17(14)25)24-18(12-26)5-1-2-6-18/h5-6,9-11,13,15,17,24H,2-4,7-8,12H2,1H3,(H,26,27);3-4,7-9,11,13,15,23H,1-2,5-6,10H2,(H2,21,28)(H,25,26);3-4,7-9,11,14,16,22,27H,1-2,5-6,10,12H2,(H,24,25);3-4,7-9,11,21,26H,1-2,5-6,10,12H2,(H,23,24)/t15?,17-;13?,15-;14-,16+;/m110./s1.
What are the key properties of (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate?
(2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate has a molecular weight of 1766.36 g/mol, XLogP of 13.67, 25 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxamide;[(1R,2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;[1-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclopentyl]methanol;ethyl (2R)-2-[[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 160974629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).