3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide

C24H23N5O3 — CID 55806725

IUPAC3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
SMILESCc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C24H23N5O3/c1-16-22(17(2)29-24(27-16)19(12-25)13-26-29)8-9-23(30)28-20-6-3-5-18(11-20)14-31-15-21-7-4-10-32-21/h3-7,10-11,13H,8-9,14-15H2,1-2H3,(H,28,30)
InChIKeyLJBJLEVEUYMESV-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.10
Rot. Bonds8

About 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide

3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide (PubChem CID 55806725) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
PubChem CID55806725
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide
SMILESCc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(COCc2ccco2)c1
InChIInChI=1S/C24H23N5O3/c1-16-22(17(2)29-24(27-16)19(12-25)13-26-29)8-9-23(30)28-20-6-3-5-18(11-20)14-31-15-21-7-4-10-32-21/h3-7,10-11,13H,8-9,14-15H2,1-2H3,(H,28,30)
InChIKeyLJBJLEVEUYMESV-UHFFFAOYSA-N
XLogP4.10
TPSA105.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide?
The IUPAC name of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide (CID 55806725) is 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide.
What is the SMILES notation for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide?
The canonical SMILES for 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide is Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)Nc1cccc(COCc2ccco2)c1.
What is the InChIKey of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide?
The InChIKey is LJBJLEVEUYMESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-16-22(17(2)29-24(27-16)19(12-25)13-26-29)8-9-23(30)28-20-6-3-5-18(11-20)14-31-15-21-7-4-10-32-21/h3-7,10-11,13H,8-9,14-15H2,1-2H3,(H,28,30).
What are the key properties of 3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide?
3-(3-cyano-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-N-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide has a molecular weight of 429.48 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 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-[3-(furan-2-ylmethoxymethyl)phenyl]propanamide is sourced from PubChem (CID 55806725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).