7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C22H21N5O2 — CID 53040590

IUPAC7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(OC)cc2)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C22H21N5O2/c1-3-16-12-20(22(28)24-14-15-7-9-17(29-2)10-8-15)25-21-13-19(26-27(16)21)18-6-4-5-11-23-18/h4-13H,3,14H2,1-2H3,(H,24,28)
InChIKeyLMACUHCXJLCDNX-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.29
Rot. Bonds6

About 7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide

7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040590) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040590
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1cc(C(=O)NCc2ccc(OC)cc2)nc2cc(-c3ccccn3)nn12
InChIInChI=1S/C22H21N5O2/c1-3-16-12-20(22(28)24-14-15-7-9-17(29-2)10-8-15)25-21-13-19(26-27(16)21)18-6-4-5-11-23-18/h4-13H,3,14H2,1-2H3,(H,24,28)
InChIKeyLMACUHCXJLCDNX-UHFFFAOYSA-N
XLogP3.29
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Tak-593
CID 24767976
1-cyclopropyl-4-(4-((5-methyl-3-(3-(4-(trifluoromethoxy)phenyl)-1,2,4-oxadiazol-5-yl)-1H-pyrazol-1-yl)methyl)pyridin-2-yl)piperazine
CID 67377767
N-[1-[6-(3-methoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-N-methyl-7-oxo-6-prop-2-enyl-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 135394452
4-(azetidine-1-carbonyl)-N-[2-[3-(2-fluoroethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378843
4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
4-(Azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid {2-[2-(2-fluoro-ethoxy)-phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl}-amide
CID 86666030
N,N-Diethyl-2-(2-(4-methoxyphenyl)-5,7-dimethylpyrazolo(1,5-a)pyrimidin-3-yl)acetamide
CID 11595759
N-[2-(4-methoxyphenyl)ethyl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 675270
4-(azetidine-1-carbonyl)-N-[2-[2-(3-fluoropropoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 165414845
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040590) is 7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is CCc1cc(C(=O)NCc2ccc(OC)cc2)nc2cc(-c3ccccn3)nn12.
What is the InChIKey of 7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is LMACUHCXJLCDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-3-16-12-20(22(28)24-14-15-7-9-17(29-2)10-8-15)25-21-13-19(26-27(16)21)18-6-4-5-11-23-18/h4-13H,3,14H2,1-2H3,(H,24,28).
What are the key properties of 7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-N-[(4-methoxyphenyl)methyl]-2-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).