5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C19H15F2N5O2S — CID 4771847

IUPAC5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc4nc(C5CC5)cc(C(F)F)n4n3)sc2c1
InChIInChI=1S/C19H15F2N5O2S/c1-28-10-4-5-11-15(6-10)29-19(23-11)24-18(27)13-8-16-22-12(9-2-3-9)7-14(17(20)21)26(16)25-13/h4-9,17H,2-3H2,1H3,(H,23,24,27)
InChIKeyDROODFCTWJTLEQ-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.41
Rot. Bonds5

About 5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4771847) has the molecular formula C19H15F2N5O2S and a molecular weight of 415.43 g/mol. Its IUPAC name is 5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4771847
Molecular FormulaC19H15F2N5O2S
Molecular Weight415.43 g/mol
Exact Mass415.09
IUPAC Name5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc2nc(NC(=O)c3cc4nc(C5CC5)cc(C(F)F)n4n3)sc2c1
InChIInChI=1S/C19H15F2N5O2S/c1-28-10-4-5-11-15(6-10)29-19(23-11)24-18(27)13-8-16-22-12(9-2-3-9)7-14(17(20)21)26(16)25-13/h4-9,17H,2-3H2,1H3,(H,23,24,27)
InChIKeyDROODFCTWJTLEQ-UHFFFAOYSA-N
XLogP4.41
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-N-(6-methyl-1,3-benzothiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19447414
5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453862
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclopropanecarboxamide
CID 863482
4-methoxy-N-(6-methoxy-1,3-benzothiazol-2-yl)benzamide
CID 584682
5-cyclopropyl-7-(difluoromethyl)-N-(4-methyl-3,5-dinitrophenyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19455605
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23910638
2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-2-phenylacetic acid
CID 19583383
2-[1-(cyclohexanecarbonyl)piperidin-4-yl]-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 3847560
N-(1-adamantyl)-5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 4768700
N-(6-methoxy-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
CID 739502
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenyl)benzamide
CID 3515602
2-acetamido-N-(6-methoxy-1,3-benzothiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 39046251

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4771847) is 5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc2nc(NC(=O)c3cc4nc(C5CC5)cc(C(F)F)n4n3)sc2c1.
What is the InChIKey of 5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DROODFCTWJTLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2S/c1-28-10-4-5-11-15(6-10)29-19(23-11)24-18(27)13-8-16-22-12(9-2-3-9)7-14(17(20)21)26(16)25-13/h4-9,17H,2-3H2,1H3,(H,23,24,27).
What are the key properties of 5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-7-(difluoromethyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4771847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).