2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

C23H28N6O2 — CID 3229974

IUPAC2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCCn1ccnc1
InChIInChI=1S/C23H28N6O2/c1-5-20-16(2)26-22-14-21(17-11-18(30-3)13-19(12-17)31-4)27-29(22)23(20)25-7-6-9-28-10-8-24-15-28/h8,10-15,25H,5-7,9H2,1-4H3
InChIKeyUGFZIYTVRGOEHF-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.98
Rot. Bonds9

About 2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 3229974) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID3229974
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCCn1ccnc1
InChIInChI=1S/C23H28N6O2/c1-5-20-16(2)26-22-14-21(17-11-18(30-3)13-19(12-17)31-4)27-29(22)23(20)25-7-6-9-28-10-8-24-15-28/h8,10-15,25H,5-7,9H2,1-4H3
InChIKeyUGFZIYTVRGOEHF-UHFFFAOYSA-N
XLogP3.98
TPSA78.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine (CID 3229974) is 2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCCn1ccnc1.
What is the InChIKey of 2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UGFZIYTVRGOEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-5-20-16(2)26-22-14-21(17-11-18(30-3)13-19(12-17)31-4)27-29(22)23(20)25-7-6-9-28-10-8-24-15-28/h8,10-15,25H,5-7,9H2,1-4H3.
What are the key properties of 2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine?
2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 420.52 g/mol, XLogP of 3.98, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethoxyphenyl)-6-ethyl-N-(3-imidazol-1-ylpropyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 3229974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).