2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide

C23H23N5O3 — CID 95801603

IUPAC2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)cc1OC
InChIInChI=1S/C23H23N5O3/c1-30-20-4-3-16(13-21(20)31-2)14-23(29)25-11-7-18-15-22-26-19(8-12-28(22)27-18)17-5-9-24-10-6-17/h3-6,8-10,12-13,15H,7,11,14H2,1-2H3,(H,25,29)
InChIKeyPDMMTFMRPWXXCM-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.71
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide (PubChem CID 95801603) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide
PubChem CID95801603
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide
SMILESCOc1ccc(CC(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)cc1OC
InChIInChI=1S/C23H23N5O3/c1-30-20-4-3-16(13-21(20)31-2)14-23(29)25-11-7-18-15-22-26-19(8-12-28(22)27-18)17-5-9-24-10-6-17/h3-6,8-10,12-13,15H,7,11,14H2,1-2H3,(H,25,29)
InChIKeyPDMMTFMRPWXXCM-UHFFFAOYSA-N
XLogP2.71
TPSA90.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-methyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide
CID 95801601
2,2-dimethyl-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]propanamide
CID 46961215
2-(3,4-dimethoxyphenyl)-N-[2-(2-pyrazol-1-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 90572152
N-[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]ethyl]-2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)acetamide
CID 121052817
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 17374071
2-(3,4-dimethoxyphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356856
2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
N-[2-(3,4-dimethoxyphenyl)ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416871
N-[2-[(2-chloroacetyl)amino]ethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108575225
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 110386143
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 108788428

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide (CID 95801603) is 2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide is COc1ccc(CC(=O)NCCc2cc3nc(-c4ccncc4)ccn3n2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide?
The InChIKey is PDMMTFMRPWXXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-30-20-4-3-16(13-21(20)31-2)14-23(29)25-11-7-18-15-22-26-19(8-12-28(22)27-18)17-5-9-24-10-6-17/h3-6,8-10,12-13,15H,7,11,14H2,1-2H3,(H,25,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[2-(5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl)ethyl]acetamide is sourced from PubChem (CID 95801603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).