5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine

C89H119Br2ClN30O2 — CID 159427149

IUPAC5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(N)c(Br)c(C3CCCCC3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@H](N)C3)nc12.Nc1cc(C2CCCCC2)nc2c(/C=C/c3ccccc3)cnn12.Nc1cc(C2CCCCC2)nc2c(CN3CCOCC3)cnn12.Nc1cc(C2CCCCC2)nc2c(CN3CCOCC3)cnn12
InChIInChI=1S/C20H22N4.2C17H25N5O.C13H17BrN4.C11H15BrN6.C11H15ClN6/c21-19-13-18(16-9-5-2-6-10-16)23-20-17(14-22-24(19)20)12-11-15-7-3-1-4-8-15;2*18-16-10-15(13-4-2-1-3-5-13)20-17-14(11-19-22(16)17)12-21-6-8-23-9-7-21;1-8-7-16-18-12(15)10(14)11(17-13(8)18)9-5-3-2-4-6-9;2*1-6-4-15-18-9(14)8(12)11(16-10(6)18)17-3-2-7(13)5-17/h1,3-4,7-8,11-14,16H,2,5-6,9-10,21H2;2*10-11,13H,1-9,12,18H2;7,9H,2-6,15H2,1H3;2*4,7H,2-3,5,13-14H2,1H3/b12-11+;;;;;/t;;;;2*7-/m....00/s1
InChIKeyLQMXHNYLSAJCDW-IIPNUHPYSA-N
MW1836.40 g/mol
LogP14.07
Rot. Bonds12

About 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine

5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 159427149) has the molecular formula C89H119Br2ClN30O2 and a molecular weight of 1836.40 g/mol. Its IUPAC name is 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID159427149
Molecular FormulaC89H119Br2ClN30O2
Molecular Weight1836.40 g/mol
Exact Mass1832.82
IUPAC Name5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cnn2c(N)c(Br)c(C3CCCCC3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@H](N)C3)nc12.Nc1cc(C2CCCCC2)nc2c(/C=C/c3ccccc3)cnn12.Nc1cc(C2CCCCC2)nc2c(CN3CCOCC3)cnn12.Nc1cc(C2CCCCC2)nc2c(CN3CCOCC3)cnn12
InChIInChI=1S/C20H22N4.2C17H25N5O.C13H17BrN4.C11H15BrN6.C11H15ClN6/c21-19-13-18(16-9-5-2-6-10-16)23-20-17(14-22-24(19)20)12-11-15-7-3-1-4-8-15;2*18-16-10-15(13-4-2-1-3-5-13)20-17-14(11-19-22(16)17)12-21-6-8-23-9-7-21;1-8-7-16-18-12(15)10(14)11(17-13(8)18)9-5-3-2-4-6-9;2*1-6-4-15-18-9(14)8(12)11(16-10(6)18)17-3-2-7(13)5-17/h1,3-4,7-8,11-14,16H,2,5-6,9-10,21H2;2*10-11,13H,1-9,12,18H2;7,9H,2-6,15H2,1H3;2*4,7H,2-3,5,13-14H2,1H3/b12-11+;;;;;/t;;;;2*7-/m....00/s1
InChIKeyLQMXHNYLSAJCDW-IIPNUHPYSA-N
XLogP14.07
TPSA420.72 Ų
H-Bond Donors8
H-Bond Acceptors32
Rotatable Bonds12
Heavy Atoms124
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001836.40
LogP ≤ 514.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1032

Analyze 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 159427149) is 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine is Cc1cnn2c(N)c(Br)c(C3CCCCC3)nc12.Cc1cnn2c(N)c(Br)c(N3CC[C@H](N)C3)nc12.Cc1cnn2c(N)c(Cl)c(N3CC[C@H](N)C3)nc12.Nc1cc(C2CCCCC2)nc2c(/C=C/c3ccccc3)cnn12.Nc1cc(C2CCCCC2)nc2c(CN3CCOCC3)cnn12.Nc1cc(C2CCCCC2)nc2c(CN3CCOCC3)cnn12.
What is the InChIKey of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is LQMXHNYLSAJCDW-IIPNUHPYSA-N. The full InChI is InChI=1S/C20H22N4.2C17H25N5O.C13H17BrN4.C11H15BrN6.C11H15ClN6/c21-19-13-18(16-9-5-2-6-10-16)23-20-17(14-22-24(19)20)12-11-15-7-3-1-4-8-15;2*18-16-10-15(13-4-2-1-3-5-13)20-17-14(11-19-22(16)17)12-21-6-8-23-9-7-21;1-8-7-16-18-12(15)10(14)11(17-13(8)18)9-5-3-2-4-6-9;2*1-6-4-15-18-9(14)8(12)11(16-10(6)18)17-3-2-7(13)5-17/h1,3-4,7-8,11-14,16H,2,5-6,9-10,21H2;2*10-11,13H,1-9,12,18H2;7,9H,2-6,15H2,1H3;2*4,7H,2-3,5,13-14H2,1H3/b12-11+;;;;;/t;;;;2*7-/m....00/s1.
What are the key properties of 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine?
5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 1836.40 g/mol, XLogP of 14.07, 12 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3S)-3-aminopyrrolidin-1-yl]-6-bromo-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;5-[(3S)-3-aminopyrrolidin-1-yl]-6-chloro-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-methylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-cyclohexyl-3-(morpholin-4-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine);5-cyclohexyl-3-[(E)-2-phenylethenyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 159427149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).