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

C22H30BrN7O — CID 58364899

IUPAC6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NCCN4CCOCC4)c(Br)c(C4CCCCC4)nc23)cn1
InChIInChI=1S/C22H30BrN7O/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/h13-16,24H,2-12H2,1H3
InChIKeyANQJTRVSJXMJDS-UHFFFAOYSA-N
MW488.43 g/mol
LogP3.68
Rot. Bonds6

About 6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[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 58364899) has the molecular formula C22H30BrN7O and a molecular weight of 488.43 g/mol. Its IUPAC name is 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-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58364899
Molecular FormulaC22H30BrN7O
Molecular Weight488.43 g/mol
Exact Mass487.17
IUPAC Name6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NCCN4CCOCC4)c(Br)c(C4CCCCC4)nc23)cn1
InChIInChI=1S/C22H30BrN7O/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/h13-16,24H,2-12H2,1H3
InChIKeyANQJTRVSJXMJDS-UHFFFAOYSA-N
XLogP3.68
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Sch-900776
CID 46239015
6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224745
6-Bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-((3S)-piperidin-3-yl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 46239014
5-methyl-N-(3-morpholin-4-ylpropyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
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6-cyclopropyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
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CID 16224564
6-ethyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16224566
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6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(pyrrolidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 16226383
6-iodo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 46238916
3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-(prop-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-amine
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Frequently Asked Questions

What is the IUPAC name of 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-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 58364899) is 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-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-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(NCCN4CCOCC4)c(Br)c(C4CCCCC4)nc23)cn1.
What is the InChIKey of 6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is ANQJTRVSJXMJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30BrN7O/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/h13-16,24H,2-12H2,1H3.
What are the key properties of 6-bromo-5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[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 488.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 58364899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).