5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

C85H106Br4N36 — CID 159889802

IUPAC5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.CCc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(C3=CCC=C3)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(C3=CCC=C3)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(C3=CCC=C3)cnn12
InChIInChI=1S/C16H18BrN5.C15H18BrN7.C15H17BrN6.C15H18N6.C12H17BrN6.C12H18N6/c17-13-14(11-6-3-7-19-8-11)21-16-12(10-4-1-2-5-10)9-20-22(16)15(13)18;1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;16-12-13(18)22-14(11(7-19-22)9-3-1-2-4-9)20-15(12)21-6-5-10(17)8-21;16-11-5-6-20(9-11)14-7-13(17)21-15(19-14)12(8-18-21)10-3-1-2-4-10;1-2-7-5-16-19-10(15)9(13)12(17-11(7)19)18-4-3-8(14)6-18;1-2-8-6-15-18-10(14)5-11(16-12(8)18)17-4-3-9(13)7-17/h1,4-5,9,11,19H,2-3,6-8,18H2;6-9,18H,2-5,17H2,1H3;1,3-4,7,10H,2,5-6,8,17-18H2;1,3-4,7-8,11H,2,5-6,9,16-17H2;5,8H,2-4,6,14-15H2,1H3;5-6,9H,2-4,7,13-14H2,1H3/t;;10-;11-;8-;9-/m..0000/s1
InChIKeyNUPJBAUTFSWXBP-NQCWMOOPSA-N
MW1951.65 g/mol
LogP9.56
Rot. Bonds12

About 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine

5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159889802) has the molecular formula C85H106Br4N36 and a molecular weight of 1951.65 g/mol. Its IUPAC name is 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159889802
Molecular FormulaC85H106Br4N36
Molecular Weight1951.65 g/mol
Exact Mass1946.61
IUPAC Name5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.CCc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(C3=CCC=C3)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(C3=CCC=C3)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(C3=CCC=C3)cnn12
InChIInChI=1S/C16H18BrN5.C15H18BrN7.C15H17BrN6.C15H18N6.C12H17BrN6.C12H18N6/c17-13-14(11-6-3-7-19-8-11)21-16-12(10-4-1-2-5-10)9-20-22(16)15(13)18;1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;16-12-13(18)22-14(11(7-19-22)9-3-1-2-4-9)20-15(12)21-6-5-10(17)8-21;16-11-5-6-20(9-11)14-7-13(17)21-15(19-14)12(8-18-21)10-3-1-2-4-10;1-2-7-5-16-19-10(15)9(13)12(17-11(7)19)18-4-3-8(14)6-18;1-2-8-6-15-18-10(14)5-11(16-12(8)18)17-4-3-9(13)7-17/h1,4-5,9,11,19H,2-3,6-8,18H2;6-9,18H,2-5,17H2,1H3;1,3-4,7,10H,2,5-6,8,17-18H2;1,3-4,7-8,11H,2,5-6,9,16-17H2;5,8H,2-4,6,14-15H2,1H3;5-6,9H,2-4,7,13-14H2,1H3/t;;10-;11-;8-;9-/m..0000/s1
InChIKeyNUPJBAUTFSWXBP-NQCWMOOPSA-N
XLogP9.56
TPSA496.18 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds12
Heavy Atoms125
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001951.65
LogP ≤ 59.56
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

US10730877, Example 787
CID 138725722
N-[4-(7-amino-6-bromo-5-pyrrolidin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyrazol-1-yl]-6-fluoro-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 71199071
2-[[3-(3,3-difluoropyrrolidin-1-yl)azetidin-1-yl]methyl]-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-[[methyl(3-piperidin-1-ylpropyl)amino]methyl]-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 89783728
3-[4-[3-bromo-7-(pyrimidin-5-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-3-fluorophenyl]bromanuidyl-5-cyclohexyl-N-(pyrimidin-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 146838498
4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-6-[5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]-1-ethylpyrazol-3-yl]-N-(4-fluoro-1-methylpyrazol-5-yl)-5-methylpyrimidin-2-amine
CID 155376550
4-[5-[[4-[(7S)-5-[difluoro-(2-fluorophenyl)methyl]-7-methyl-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methylpyrimidin-2-yl]amino]-1-(difluoromethyl)pyrazol-3-yl]-6-[(7R)-5-[(2,4-difluorophenyl)-difluoromethyl]-7-(fluoromethyl)-3,4,6,9-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraen-11-yl]-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine
CID 155376640
(3S,4S)-4-propyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R,4S)-4-propyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3S,4R)-4-propyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;(3R,4R)-4-propyl-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 157369269
3-[3-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-(3-phenylpiperazin-1-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-piperazin-1-yl-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 158186576
3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-(1-fluoroethenyl)-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[4-methyl-6-[(3S)-3-(2-methylpropyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen;3-[6-[(3S)-3-phenylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 158726561
5-bromo-3-[6-[(2S)-2-(2-methylpropyl)piperidin-4-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2-methylphenyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2R)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[(2S)-2-methylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;molecular hydrogen
CID 159568630
3-[6-[(3S)-3-propan-2-ylpiperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]azetidin-3-amine;1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;[1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-yl]methanamine;3-[3-(trifluoromethyl)-6-[3-(trifluoromethyl)piperazin-1-yl]-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
CID 159838128
3-[6-(3,8-diazabicyclo[3.2.1]octan-3-yl)-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;3-[6-[3-(2,2-difluoropropyl)piperazin-1-yl]-3-(trifluoromethyl)-2-pyridinyl]-2H-pyrazolo[3,4-b]pyridine;(3S,4R)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;(3R,4S)-3-(2-methylpropyl)-1-[6-(2H-pyrazolo[3,4-b]pyridin-3-yl)-2-pyridinyl]piperidin-4-amine;molecular hydrogen
CID 160598793

Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 159889802) is 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.CCc1cnn2c(N)cc(N3CC[C@H](N)C3)nc12.Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1.Nc1c(Br)c(C2CCCNC2)nc2c(C3=CCC=C3)cnn12.Nc1c(Br)c(N2CC[C@H](N)C2)nc2c(C3=CCC=C3)cnn12.Nc1cc(N2CC[C@H](N)C2)nc2c(C3=CCC=C3)cnn12.
What is the InChIKey of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is NUPJBAUTFSWXBP-NQCWMOOPSA-N. The full InChI is InChI=1S/C16H18BrN5.C15H18BrN7.C15H17BrN6.C15H18N6.C12H17BrN6.C12H18N6/c17-13-14(11-6-3-7-19-8-11)21-16-12(10-4-1-2-5-10)9-20-22(16)15(13)18;1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9;16-12-13(18)22-14(11(7-19-22)9-3-1-2-4-9)20-15(12)21-6-5-10(17)8-21;16-11-5-6-20(9-11)14-7-13(17)21-15(19-14)12(8-18-21)10-3-1-2-4-10;1-2-7-5-16-19-10(15)9(13)12(17-11(7)19)18-4-3-8(14)6-18;1-2-8-6-15-18-10(14)5-11(16-12(8)18)17-4-3-9(13)7-17/h1,4-5,9,11,19H,2-3,6-8,18H2;6-9,18H,2-5,17H2,1H3;1,3-4,7,10H,2,5-6,8,17-18H2;1,3-4,7-8,11H,2,5-6,9,16-17H2;5,8H,2-4,6,14-15H2,1H3;5-6,9H,2-4,7,13-14H2,1H3/t;;10-;11-;8-;9-/m..0000/s1.
What are the key properties of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1951.65 g/mol, XLogP of 9.56, 12 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-cyclopenta-1,4-dien-1-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-3-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-cyclopenta-1,4-dien-1-yl-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159889802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).