3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

C24H30N6O2 — CID 11676421

IUPAC3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NC(C)Cc4nc(C(C)C)no4)cc(C)nc23)c(C)c1
InChIInChI=1S/C24H30N6O2/c1-13(2)23-27-21(32-29-23)12-16(5)25-20-11-15(4)26-24-22(17(6)28-30(20)24)19-9-8-18(31-7)10-14(19)3/h8-11,13,16,25H,12H2,1-7H3
InChIKeyCKXJJXVCYVQKCL-UHFFFAOYSA-N
MW434.54 g/mol
LogP4.88
Rot. Bonds7

About 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11676421) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11676421
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NC(C)Cc4nc(C(C)C)no4)cc(C)nc23)c(C)c1
InChIInChI=1S/C24H30N6O2/c1-13(2)23-27-21(32-29-23)12-16(5)25-20-11-15(4)26-24-22(17(6)28-30(20)24)19-9-8-18(31-7)10-14(19)3/h8-11,13,16,25H,12H2,1-7H3
InChIKeyCKXJJXVCYVQKCL-UHFFFAOYSA-N
XLogP4.88
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 11676421) is 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nn3c(NC(C)Cc4nc(C(C)C)no4)cc(C)nc23)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is CKXJJXVCYVQKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-13(2)23-27-21(32-29-23)12-16(5)25-20-11-15(4)26-24-22(17(6)28-30(20)24)19-9-8-18(31-7)10-14(19)3/h8-11,13,16,25H,12H2,1-7H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 434.54 g/mol, XLogP of 4.88, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11676421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).