3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide

C23H29FN4O2 — CID 20863197

IUPAC3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCCOC(C)C
InChIInChI=1S/C23H29FN4O2/c1-15(2)30-12-6-11-25-23(29)10-9-20-16(3)26-22-14-21(27-28(22)17(20)4)18-7-5-8-19(24)13-18/h5,7-8,13-15H,6,9-12H2,1-4H3,(H,25,29)
InChIKeyHUMJNMFCDOJJSG-UHFFFAOYSA-N
MW412.51 g/mol
LogP4.02
Rot. Bonds9

About 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide

3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide (PubChem CID 20863197) has the molecular formula C23H29FN4O2 and a molecular weight of 412.51 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide
PubChem CID20863197
Molecular FormulaC23H29FN4O2
Molecular Weight412.51 g/mol
Exact Mass412.23
IUPAC Name3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide
SMILESCc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCCOC(C)C
InChIInChI=1S/C23H29FN4O2/c1-15(2)30-12-6-11-25-23(29)10-9-20-16(3)26-22-14-21(27-28(22)17(20)4)18-7-5-8-19(24)13-18/h5,7-8,13-15H,6,9-12H2,1-4H3,(H,25,29)
InChIKeyHUMJNMFCDOJJSG-UHFFFAOYSA-N
XLogP4.02
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The IUPAC name of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide (CID 20863197) is 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide.
What is the SMILES notation for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The canonical SMILES for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide is Cc1nc2cc(-c3cccc(F)c3)nn2c(C)c1CCC(=O)NCCCOC(C)C.
What is the InChIKey of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide?
The InChIKey is HUMJNMFCDOJJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29FN4O2/c1-15(2)30-12-6-11-25-23(29)10-9-20-16(3)26-22-14-21(27-28(22)17(20)4)18-7-5-8-19(24)13-18/h5,7-8,13-15H,6,9-12H2,1-4H3,(H,25,29).
What are the key properties of 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide?
3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide has a molecular weight of 412.51 g/mol, XLogP of 4.02, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-propan-2-yloxypropyl)propanamide is sourced from PubChem (CID 20863197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).