3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide

C26H28N4O4 — CID 23604143

IUPAC3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide
SMILESCCn1c(C)c(CCC(=O)Nc2cccc(OC)c2)c(=O)n2nc(-c3ccccc3OC)cc12
InChIInChI=1S/C26H28N4O4/c1-5-29-17(2)20(13-14-24(31)27-18-9-8-10-19(15-18)33-3)26(32)30-25(29)16-22(28-30)21-11-6-7-12-23(21)34-4/h6-12,15-16H,5,13-14H2,1-4H3,(H,27,31)
InChIKeyKMGZCQYWMUBNQS-UHFFFAOYSA-N
MW460.53 g/mol
LogP4.08
Rot. Bonds8

About 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide

3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide (PubChem CID 23604143) has the molecular formula C26H28N4O4 and a molecular weight of 460.53 g/mol. Its IUPAC name is 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide
PubChem CID23604143
Molecular FormulaC26H28N4O4
Molecular Weight460.53 g/mol
Exact Mass460.21
IUPAC Name3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide
SMILESCCn1c(C)c(CCC(=O)Nc2cccc(OC)c2)c(=O)n2nc(-c3ccccc3OC)cc12
InChIInChI=1S/C26H28N4O4/c1-5-29-17(2)20(13-14-24(31)27-18-9-8-10-19(15-18)33-3)26(32)30-25(29)16-22(28-30)21-11-6-7-12-23(21)34-4/h6-12,15-16H,5,13-14H2,1-4H3,(H,27,31)
InChIKeyKMGZCQYWMUBNQS-UHFFFAOYSA-N
XLogP4.08
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide?
The IUPAC name of 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide (CID 23604143) is 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide.
What is the SMILES notation for 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide?
The canonical SMILES for 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide is CCn1c(C)c(CCC(=O)Nc2cccc(OC)c2)c(=O)n2nc(-c3ccccc3OC)cc12.
What is the InChIKey of 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide?
The InChIKey is KMGZCQYWMUBNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O4/c1-5-29-17(2)20(13-14-24(31)27-18-9-8-10-19(15-18)33-3)26(32)30-25(29)16-22(28-30)21-11-6-7-12-23(21)34-4/h6-12,15-16H,5,13-14H2,1-4H3,(H,27,31).
What are the key properties of 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide?
3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide has a molecular weight of 460.53 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethyl-2-(2-methoxyphenyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-6-yl]-N-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 23604143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).