5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C24H27F2N7O — CID 19453852

IUPAC5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)nc2ccccc21
InChIInChI=1S/C24H27F2N7O/c1-3-31(4-2)11-12-32-19-8-6-5-7-16(19)28-24(32)29-23(34)18-14-21-27-17(15-9-10-15)13-20(22(25)26)33(21)30-18/h5-8,13-15,22H,3-4,9-12H2,1-2H3,(H,28,29,34)
InChIKeyTZSMDRYLNDIULR-UHFFFAOYSA-N
MW467.52 g/mol
LogP4.49
Rot. Bonds9

About 5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 19453852) has the molecular formula C24H27F2N7O and a molecular weight of 467.52 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID19453852
Molecular FormulaC24H27F2N7O
Molecular Weight467.52 g/mol
Exact Mass467.22
IUPAC Name5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)CCn1c(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)nc2ccccc21
InChIInChI=1S/C24H27F2N7O/c1-3-31(4-2)11-12-32-19-8-6-5-7-16(19)28-24(32)29-23(34)18-14-21-27-17(15-9-10-15)13-20(22(25)26)33(21)30-18/h5-8,13-15,22H,3-4,9-12H2,1-2H3,(H,28,29,34)
InChIKeyTZSMDRYLNDIULR-UHFFFAOYSA-N
XLogP4.49
TPSA80.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19449285
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453582
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-phenylpyrazole-3-carboxamide
CID 55652120
2-chloro-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]acetamide
CID 6611163
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpropanamide
CID 19570611
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280672
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2,5-difluorobenzamide
CID 30178740
5-cyclopropyl-N-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19453862
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-1-ethylpyrazole-4-carboxamide
CID 19280963
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-2-methylpyrazole-3-carboxamide
CID 19475551
2-[[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-2-phenylacetic acid
CID 19583383
2-[4-[[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19502887

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 19453852) is 5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is CCN(CC)CCn1c(NC(=O)c2cc3nc(C4CC4)cc(C(F)F)n3n2)nc2ccccc21.
What is the InChIKey of 5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is TZSMDRYLNDIULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N7O/c1-3-31(4-2)11-12-32-19-8-6-5-7-16(19)28-24(32)29-23(34)18-14-21-27-17(15-9-10-15)13-20(22(25)26)33(21)30-18/h5-8,13-15,22H,3-4,9-12H2,1-2H3,(H,28,29,34).
What are the key properties of 5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 19453852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).