4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine

C27H38N6O3 — CID 3229979

IUPAC4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine
SMILESCCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C27H38N6O3/c1-5-24-20(2)28-26-19-25(21-16-22(34-3)18-23(17-21)35-4)29-33(26)27(24)32-10-8-30(9-11-32)6-7-31-12-14-36-15-13-31/h16-19H,5-15H2,1-4H3
InChIKeyNCMYNTLEKUREPY-UHFFFAOYSA-N
MW494.64 g/mol
LogP2.74
Rot. Bonds8

About 4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine

4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine (PubChem CID 3229979) has the molecular formula C27H38N6O3 and a molecular weight of 494.64 g/mol. Its IUPAC name is 4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine
PubChem CID3229979
Molecular FormulaC27H38N6O3
Molecular Weight494.64 g/mol
Exact Mass494.30
IUPAC Name4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine
SMILESCCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCN(CCN2CCOCC2)CC1
InChIInChI=1S/C27H38N6O3/c1-5-24-20(2)28-26-19-25(21-16-22(34-3)18-23(17-21)35-4)29-33(26)27(24)32-10-8-30(9-11-32)6-7-31-12-14-36-15-13-31/h16-19H,5-15H2,1-4H3
InChIKeyNCMYNTLEKUREPY-UHFFFAOYSA-N
XLogP2.74
TPSA67.60 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.64
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine (CID 3229979) is 4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine is CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1N1CCN(CCN2CCOCC2)CC1.
What is the InChIKey of 4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine?
The InChIKey is NCMYNTLEKUREPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N6O3/c1-5-24-20(2)28-26-19-25(21-16-22(34-3)18-23(17-21)35-4)29-33(26)27(24)32-10-8-30(9-11-32)6-7-31-12-14-36-15-13-31/h16-19H,5-15H2,1-4H3.
What are the key properties of 4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine?
4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine has a molecular weight of 494.64 g/mol, XLogP of 2.74, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(3,5-dimethoxyphenyl)-6-ethyl-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]ethyl]morpholine is sourced from PubChem (CID 3229979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).