6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H19FN4O3 — CID 5051330

IUPAC6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)N(C)Cc3ccco3)c[nH]n2c(=O)c1Cc1ccccc1F
InChIInChI=1S/C21H19FN4O3/c1-13-16(10-14-6-3-4-8-18(14)22)21(28)26-19(24-13)17(11-23-26)20(27)25(2)12-15-7-5-9-29-15/h3-9,11,23H,10,12H2,1-2H3
InChIKeyWPGFYWHKPSPGHY-UHFFFAOYSA-N
MW394.41 g/mol
LogP2.93
Rot. Bonds5

About 6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 5051330) has the molecular formula C21H19FN4O3 and a molecular weight of 394.41 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID5051330
Molecular FormulaC21H19FN4O3
Molecular Weight394.41 g/mol
Exact Mass394.14
IUPAC Name6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)N(C)Cc3ccco3)c[nH]n2c(=O)c1Cc1ccccc1F
InChIInChI=1S/C21H19FN4O3/c1-13-16(10-14-6-3-4-8-18(14)22)21(28)26-19(24-13)17(11-23-26)20(27)25(2)12-15-7-5-9-29-15/h3-9,11,23H,10,12H2,1-2H3
InChIKeyWPGFYWHKPSPGHY-UHFFFAOYSA-N
XLogP2.93
TPSA83.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 5051330) is 6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)N(C)Cc3ccco3)c[nH]n2c(=O)c1Cc1ccccc1F.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is WPGFYWHKPSPGHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3/c1-13-16(10-14-6-3-4-8-18(14)22)21(28)26-19(24-13)17(11-23-26)20(27)25(2)12-15-7-5-9-29-15/h3-9,11,23H,10,12H2,1-2H3.
What are the key properties of 6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-N-(furan-2-ylmethyl)-N,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 5051330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).