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

C23H21FN4O2 — CID 122174706

IUPAC6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC(C)c3ccccc3)c[nH]n2c(=O)c1Cc1ccccc1F
InChIInChI=1S/C23H21FN4O2/c1-14(16-8-4-3-5-9-16)27-22(29)19-13-25-28-21(19)26-15(2)18(23(28)30)12-17-10-6-7-11-20(17)24/h3-11,13-14,25H,12H2,1-2H3,(H,27,29)
InChIKeyBLFGGYOTXBOOBH-UHFFFAOYSA-N
MW404.45 g/mol
LogP3.55
Rot. Bonds5

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

6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 122174706) 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-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID122174706
Molecular FormulaC23H21FN4O2
Molecular Weight404.45 g/mol
Exact Mass404.16
IUPAC Name6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NC(C)c3ccccc3)c[nH]n2c(=O)c1Cc1ccccc1F
InChIInChI=1S/C23H21FN4O2/c1-14(16-8-4-3-5-9-16)27-22(29)19-13-25-28-21(19)26-15(2)18(23(28)30)12-17-10-6-7-11-20(17)24/h3-11,13-14,25H,12H2,1-2H3,(H,27,29)
InChIKeyBLFGGYOTXBOOBH-UHFFFAOYSA-N
XLogP3.55
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 53.55
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-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 122174706) is 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NC(C)c3ccccc3)c[nH]n2c(=O)c1Cc1ccccc1F.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BLFGGYOTXBOOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O2/c1-14(16-8-4-3-5-9-16)27-22(29)19-13-25-28-21(19)26-15(2)18(23(28)30)12-17-10-6-7-11-20(17)24/h3-11,13-14,25H,12H2,1-2H3,(H,27,29).
What are the key properties of 6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2-fluorophenyl)methyl]-5-methyl-7-oxo-N-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 404.45 g/mol, XLogP of 3.55, 5 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-(1-phenylethyl)-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 122174706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).