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

C22H31N7O — CID 58364830

IUPAC5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NCCN4CCOCC4)cc(C4CCCCC4)nc23)cn1
InChIInChI=1S/C22H31N7O/c1-27-16-18(14-24-27)19-15-25-29-21(23-7-8-28-9-11-30-12-10-28)13-20(26-22(19)29)17-5-3-2-4-6-17/h13-17,23H,2-12H2,1H3
InChIKeyUKASFGPDZMBQOH-UHFFFAOYSA-N
MW409.54 g/mol
LogP2.92
Rot. Bonds6

About 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-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 58364830) has the molecular formula C22H31N7O and a molecular weight of 409.54 g/mol. Its IUPAC name is 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID58364830
Molecular FormulaC22H31N7O
Molecular Weight409.54 g/mol
Exact Mass409.26
IUPAC Name5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCn1cc(-c2cnn3c(NCCN4CCOCC4)cc(C4CCCCC4)nc23)cn1
InChIInChI=1S/C22H31N7O/c1-27-16-18(14-24-27)19-15-25-29-21(23-7-8-28-9-11-30-12-10-28)13-20(26-22(19)29)17-5-3-2-4-6-17/h13-17,23H,2-12H2,1H3
InChIKeyUKASFGPDZMBQOH-UHFFFAOYSA-N
XLogP2.92
TPSA72.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Apy0201
CID 56927660
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US9266891, III-19
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2-[(3S)-piperidin-3-yl]oxy-8-propan-2-yl-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 124663976
Ldc4297
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3-(4-fluorophenyl)-2,5-dimethyl-N-[3-(morpholin-4-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 58364830) is 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 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is Cn1cc(-c2cnn3c(NCCN4CCOCC4)cc(C4CCCCC4)nc23)cn1.
What is the InChIKey of 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UKASFGPDZMBQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7O/c1-27-16-18(14-24-27)19-15-25-29-21(23-7-8-28-9-11-30-12-10-28)13-20(26-22(19)29)17-5-3-2-4-6-17/h13-17,23H,2-12H2,1H3.
What are the key properties of 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-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 409.54 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 58364830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).