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

C23H21FN4O2 — CID 15988857

IUPAC6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCc3ccccc3)c[nH]n2c(=O)c1Cc1ccccc1F
InChIInChI=1S/C23H21FN4O2/c1-15-18(13-17-9-5-6-10-20(17)24)23(30)28-21(27-15)19(14-26-28)22(29)25-12-11-16-7-3-2-4-8-16/h2-10,14,26H,11-13H2,1H3,(H,25,29)
InChIKeyFBHGVVNKVMHHRB-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.03
Rot. Bonds6

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

6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15988857) has the molecular formula C23H21FN4O2 and a molecular weight of 404.45 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15988857
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCc3ccccc3)c[nH]n2c(=O)c1Cc1ccccc1F
InChIInChI=1S/C23H21FN4O2/c1-15-18(13-17-9-5-6-10-20(17)24)23(30)28-21(27-15)19(14-26-28)22(29)25-12-11-16-7-3-2-4-8-16/h2-10,14,26H,11-13H2,1H3,(H,25,29)
InChIKeyFBHGVVNKVMHHRB-UHFFFAOYSA-N
XLogP3.03
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15988857) is 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCCc3ccccc3)c[nH]n2c(=O)c1Cc1ccccc1F.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is FBHGVVNKVMHHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-15-18(13-17-9-5-6-10-20(17)24)23(30)28-21(27-15)19(14-26-28)22(29)25-12-11-16-7-3-2-4-8-16/h2-10,14,26H,11-13H2,1H3,(H,25,29).
What are the key properties of 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(2-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15988857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).