7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride

C18H16Cl2F2N6O2 — CID 90485365

IUPAC7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCn1ccnc1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C18H15ClF2N6O2.ClH/c19-18(20,21)15-9-12(14-3-1-8-29-14)24-16-10-13(25-27(15)16)17(28)23-4-2-6-26-7-5-22-11-26;/h1,3,5,7-11H,2,4,6H2,(H,23,28);1H
InChIKeyLMGAWCYQLHQNDY-UHFFFAOYSA-N
MW457.27 g/mol
LogP3.72
Rot. Bonds7

About 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride

7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride (PubChem CID 90485365) has the molecular formula C18H16Cl2F2N6O2 and a molecular weight of 457.27 g/mol. Its IUPAC name is 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
PubChem CID90485365
Molecular FormulaC18H16Cl2F2N6O2
Molecular Weight457.27 g/mol
Exact Mass456.07
IUPAC Name7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
SMILESCl.O=C(NCCCn1ccnc1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1
InChIInChI=1S/C18H15ClF2N6O2.ClH/c19-18(20,21)15-9-12(14-3-1-8-29-14)24-16-10-13(25-27(15)16)17(28)23-4-2-6-26-7-5-22-11-26;/h1,3,5,7-11H,2,4,6H2,(H,23,28);1H
InChIKeyLMGAWCYQLHQNDY-UHFFFAOYSA-N
XLogP3.72
TPSA90.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.27
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

7-[chloro(difluoro)methyl]-N-cycloheptyl-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045909
7-[chloro(difluoro)methyl]-N-(3-chloro-4-pyrrol-1-ylphenyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1045168
N-butan-2-yl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 3148167
6-fluoro-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 113323370
ethane;5-(furan-2-yl)-N-(2-imidazol-1-ylethyl)-1,2-oxazole-3-carboxamide
CID 166135908
[7-[chloro(difluoro)methyl]-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 4545927
2-N,4-N-bis(3-imidazol-1-ylpropyl)pyridine-2,4-dicarboxamide
CID 10177866
N-butyl-7-[chloro(difluoro)methyl]-5-methylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19459795
N-(3-imidazol-1-ylpropyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30403008
2-(2-aminophenyl)-N-(3-imidazol-1-ylpropyl)-1,3-oxazole-4-carboxamide
CID 3597832
N-(3-imidazol-1-ylpropyl)-5-phenyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 3643820
4-chloro-N-(4-imidazol-1-ylbutyl)pyridine-2-carboxamide
CID 61229321

Frequently Asked Questions

What is the IUPAC name of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride?
The IUPAC name of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride (CID 90485365) is 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride?
The canonical SMILES for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride is Cl.O=C(NCCCn1ccnc1)c1cc2nc(-c3ccco3)cc(C(F)(F)Cl)n2n1.
What is the InChIKey of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride?
The InChIKey is LMGAWCYQLHQNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClF2N6O2.ClH/c19-18(20,21)15-9-12(14-3-1-8-29-14)24-16-10-13(25-27(15)16)17(28)23-4-2-6-26-7-5-22-11-26;/h1,3,5,7-11H,2,4,6H2,(H,23,28);1H.
What are the key properties of 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride?
7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride has a molecular weight of 457.27 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[chloro(difluoro)methyl]-5-(furan-2-yl)-N-(3-imidazol-1-ylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 90485365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).