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

C22H24N6O2 — CID 11509641

IUPAC3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NC4(c5nc(C)no5)CC4)cc(C)nc23)c(C)c1
InChIInChI=1S/C22H24N6O2/c1-12-10-16(29-5)6-7-17(12)19-14(3)26-28-18(11-13(2)23-20(19)28)25-22(8-9-22)21-24-15(4)27-30-21/h6-7,10-11,25H,8-9H2,1-5H3
InChIKeyMUWSWQFNUQJBAQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.12
Rot. Bonds5

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

3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 11509641) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID11509641
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine
SMILESCOc1ccc(-c2c(C)nn3c(NC4(c5nc(C)no5)CC4)cc(C)nc23)c(C)c1
InChIInChI=1S/C22H24N6O2/c1-12-10-16(29-5)6-7-17(12)19-14(3)26-28-18(11-13(2)23-20(19)28)25-22(8-9-22)21-24-15(4)27-30-21/h6-7,10-11,25H,8-9H2,1-5H3
InChIKeyMUWSWQFNUQJBAQ-UHFFFAOYSA-N
XLogP4.12
TPSA90.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.12
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-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine (CID 11509641) is 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine is COc1ccc(-c2c(C)nn3c(NC4(c5nc(C)no5)CC4)cc(C)nc23)c(C)c1.
What is the InChIKey of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is MUWSWQFNUQJBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c1-12-10-16(29-5)6-7-17(12)19-14(3)26-28-18(11-13(2)23-20(19)28)25-22(8-9-22)21-24-15(4)27-30-21/h6-7,10-11,25H,8-9H2,1-5H3.
What are the key properties of 3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine?
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 404.47 g/mol, XLogP of 4.12, 5 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-methyl-1,2,4-oxadiazol-5-yl)cyclopropyl]pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 11509641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).