3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide

C27H32N4O4 — CID 3242276

IUPAC3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
SMILESCOc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NC(C)CCc4ccco4)c(C)n3n2)c1
InChIInChI=1S/C27H32N4O4/c1-17(8-9-21-7-6-12-35-21)28-27(32)11-10-24-18(2)29-26-16-25(30-31(26)19(24)3)20-13-22(33-4)15-23(14-20)34-5/h6-7,12-17H,8-11H2,1-5H3,(H,28,32)
InChIKeyILFUDAZPZDPUMP-UHFFFAOYSA-N
MW476.58 g/mol
LogP4.69
Rot. Bonds10

About 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide

3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide (PubChem CID 3242276) has the molecular formula C27H32N4O4 and a molecular weight of 476.58 g/mol. Its IUPAC name is 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide.

Molecular Properties

Compound Name3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
PubChem CID3242276
Molecular FormulaC27H32N4O4
Molecular Weight476.58 g/mol
Exact Mass476.24
IUPAC Name3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide
SMILESCOc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NC(C)CCc4ccco4)c(C)n3n2)c1
InChIInChI=1S/C27H32N4O4/c1-17(8-9-21-7-6-12-35-21)28-27(32)11-10-24-18(2)29-26-16-25(30-31(26)19(24)3)20-13-22(33-4)15-23(14-20)34-5/h6-7,12-17H,8-11H2,1-5H3,(H,28,32)
InChIKeyILFUDAZPZDPUMP-UHFFFAOYSA-N
XLogP4.69
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.58
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide?
The IUPAC name of 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide (CID 3242276) is 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide.
What is the SMILES notation for 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide?
The canonical SMILES for 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide is COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NC(C)CCc4ccco4)c(C)n3n2)c1.
What is the InChIKey of 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide?
The InChIKey is ILFUDAZPZDPUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4/c1-17(8-9-21-7-6-12-35-21)28-27(32)11-10-24-18(2)29-26-16-25(30-31(26)19(24)3)20-13-22(33-4)15-23(14-20)34-5/h6-7,12-17H,8-11H2,1-5H3,(H,28,32).
What are the key properties of 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide?
3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide has a molecular weight of 476.58 g/mol, XLogP of 4.69, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl]-N-[4-(furan-2-yl)butan-2-yl]propanamide is sourced from PubChem (CID 3242276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).