3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide

C24H32N8O2 — CID 60587661

IUPAC3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide
SMILESCCN(CC)Cc1nc(C2(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CCCC2)no1
InChIInChI=1S/C24H32N8O2/c1-5-31(6-2)15-21-28-23(30-34-21)24(11-7-8-12-24)29-20(33)10-9-19-16(3)27-22-18(13-25)14-26-32(22)17(19)4/h14H,5-12,15H2,1-4H3,(H,29,33)
InChIKeyMALOOQYGAHIRON-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.96
Rot. Bonds9

About 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide (PubChem CID 60587661) has the molecular formula C24H32N8O2 and a molecular weight of 464.57 g/mol. Its IUPAC name is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide.

Molecular Properties

Compound Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide
PubChem CID60587661
Molecular FormulaC24H32N8O2
Molecular Weight464.57 g/mol
Exact Mass464.26
IUPAC Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide
SMILESCCN(CC)Cc1nc(C2(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CCCC2)no1
InChIInChI=1S/C24H32N8O2/c1-5-31(6-2)15-21-28-23(30-34-21)24(11-7-8-12-24)29-20(33)10-9-19-16(3)27-22-18(13-25)14-26-32(22)17(19)4/h14H,5-12,15H2,1-4H3,(H,29,33)
InChIKeyMALOOQYGAHIRON-UHFFFAOYSA-N
XLogP2.96
TPSA125.24 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide?
The IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide (CID 60587661) is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide.
What is the SMILES notation for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide?
The canonical SMILES for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide is CCN(CC)Cc1nc(C2(NC(=O)CCc3c(C)nc4c(C#N)cnn4c3C)CCCC2)no1.
What is the InChIKey of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide?
The InChIKey is MALOOQYGAHIRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N8O2/c1-5-31(6-2)15-21-28-23(30-34-21)24(11-7-8-12-24)29-20(33)10-9-19-16(3)27-22-18(13-25)14-26-32(22)17(19)4/h14H,5-12,15H2,1-4H3,(H,29,33).
What are the key properties of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide?
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide has a molecular weight of 464.57 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide is sourced from PubChem (CID 60587661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).