6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C40H52Br3N13O — CID 123738750

IUPAC6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCNc1c(Br)c(C2CCCCC2)nc2c(-c3cnn(C)c3Br)cnn12.Cn1cc(-c2cnn3c(NCCN4CCOCC4)c(Br)c(C4CCCCC4)nc23)cn1
InChIInChI=1S/C22H30BrN7O.C18H22Br2N6/c1-28-15-17(13-25-28)18-14-26-30-21(18)27-20(16-5-3-2-4-6-16)19(23)22(30)24-7-8-29-9-11-31-12-10-29;1-3-21-18-14(19)15(11-7-5-4-6-8-11)24-17-13(10-23-26(17)18)12-9-22-25(2)16(12)20/h13-16,24H,2-12H2,1H3;9-11,21H,3-8H2,1-2H3
InChIKeyDOSRSAKLYJDFNH-UHFFFAOYSA-N
MW970.66 g/mol
LogP8.82
Rot. Bonds10

About 6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine

6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 123738750) has the molecular formula C40H52Br3N13O and a molecular weight of 970.66 g/mol. Its IUPAC name is 6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID123738750
Molecular FormulaC40H52Br3N13O
Molecular Weight970.66 g/mol
Exact Mass967.20
IUPAC Name6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCNc1c(Br)c(C2CCCCC2)nc2c(-c3cnn(C)c3Br)cnn12.Cn1cc(-c2cnn3c(NCCN4CCOCC4)c(Br)c(C4CCCCC4)nc23)cn1
InChIInChI=1S/C22H30BrN7O.C18H22Br2N6/c1-28-15-17(13-25-28)18-14-26-30-21(18)27-20(16-5-3-2-4-6-16)19(23)22(30)24-7-8-29-9-11-31-12-10-29;1-3-21-18-14(19)15(11-7-5-4-6-8-11)24-17-13(10-23-26(17)18)12-9-22-25(2)16(12)20/h13-16,24H,2-12H2,1H3;9-11,21H,3-8H2,1-2H3
InChIKeyDOSRSAKLYJDFNH-UHFFFAOYSA-N
XLogP8.82
TPSA132.55 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500970.66
LogP ≤ 58.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Related Compounds

Tert-butyl 3-[6-bromo-3-(1-methylpyrazol-4-yl)-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidine-1-carboxylate
CID 57891319
6-bromo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 57891342
3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 57891411
[3-[6-Bromo-3-(1-methylpyrazol-4-yl)-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]-methylborinic acid
CID 57891448
5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364830
6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 58364899
6-bromo-N-(2-morpholin-4-ylethyl)-5-piperidin-3-yl-3-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 71108776
2-N-methyl-2-N-(2-morpholin-4-ylethyl)-8-propan-2-yl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;8-propan-2-yl-4-N-[(2-pyrazol-1-ylphenyl)methyl]-2-N-pyrrolidin-3-ylpyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 89783416
2-N-methyl-8-propan-2-yl-4-N-[(2-pyrazol-1-ylphenyl)methyl]-2-N-(2-pyrrolidin-1-ylethyl)pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine;2-N-(2-morpholin-4-ylethyl)-8-propan-2-yl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 89784045
2-(4-aminopiperidin-1-yl)-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine;2-N-methyl-2-N-(2-morpholin-4-ylethyl)-8-propan-2-yl-4-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazine-2,4-diamine
CID 89784109
N-tert-butyl-5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-piperidin-4-ylpyrazolo[1,5-a]pyrimidin-7-amine;5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;2-[[5-cyclohexyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]ethanol
CID 123452156
6-iodo-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 143440237

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 123738750) is 6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is CCNc1c(Br)c(C2CCCCC2)nc2c(-c3cnn(C)c3Br)cnn12.Cn1cc(-c2cnn3c(NCCN4CCOCC4)c(Br)c(C4CCCCC4)nc23)cn1.
What is the InChIKey of 6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DOSRSAKLYJDFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30BrN7O.C18H22Br2N6/c1-28-15-17(13-25-28)18-14-26-30-21(18)27-20(16-5-3-2-4-6-16)19(23)22(30)24-7-8-29-9-11-31-12-10-29;1-3-21-18-14(19)15(11-7-5-4-6-8-11)24-17-13(10-23-26(17)18)12-9-22-25(2)16(12)20/h13-16,24H,2-12H2,1H3;9-11,21H,3-8H2,1-2H3.
What are the key properties of 6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 970.66 g/mol, XLogP of 8.82, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(5-bromo-1-methylpyrazol-4-yl)-5-cyclohexyl-N-ethylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 123738750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).