N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide

C22H21N5O — CID 143067661

IUPACN-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
SMILESCCC(C)c1cnn2c(NC(=O)c3ccncc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H21N5O/c1-3-15(2)18-14-24-27-20(26-22(28)17-9-11-23-12-10-17)13-19(25-21(18)27)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,26,28)
InChIKeyPLCWEJUPHPBJRS-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.56
Rot. Bonds5

About N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide

N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide (PubChem CID 143067661) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
PubChem CID143067661
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC NameN-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
SMILESCCC(C)c1cnn2c(NC(=O)c3ccncc3)cc(-c3ccccc3)nc12
InChIInChI=1S/C22H21N5O/c1-3-15(2)18-14-24-27-20(26-22(28)17-9-11-23-12-10-17)13-19(25-21(18)27)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,26,28)
InChIKeyPLCWEJUPHPBJRS-UHFFFAOYSA-N
XLogP4.56
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)-1-methoxy-1,2-dihydropyridin-1-ium-3-carboxamide;N-(3-cyclopropyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide
CID 143067635
3-butan-2-yl-7-chloro-5-phenylpyrazolo[1,5-a]pyrimidine
CID 142869856
N-butan-2-yl-7-(difluoromethyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4071577
N-butan-2-yl-3-(4-chlorophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 4894015
2-(pyridine-4-carbonylamino)ethyl 1-ethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 47585209
3-ethyl-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 104617872
3,5-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 34956849
1-butan-2-yl-6-pyridin-4-ylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 16790291
7-(difluoromethyl)-5-phenyl-N-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 969823
N-butan-2-yl-6-phenyl-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46689566
7-(difluoromethyl)-N-(3-methylbutyl)-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 3596557
5,7-diphenyl-N-[(1S)-1-phenylethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 92750093

Frequently Asked Questions

What is the IUPAC name of N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide?
The IUPAC name of N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide (CID 143067661) is N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide is CCC(C)c1cnn2c(NC(=O)c3ccncc3)cc(-c3ccccc3)nc12.
What is the InChIKey of N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide?
The InChIKey is PLCWEJUPHPBJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-3-15(2)18-14-24-27-20(26-22(28)17-9-11-23-12-10-17)13-19(25-21(18)27)16-7-5-4-6-8-16/h4-15H,3H2,1-2H3,(H,26,28).
What are the key properties of N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide?
N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butan-2-yl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)pyridine-4-carboxamide is sourced from PubChem (CID 143067661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).