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

C23H21FN4O3 — CID 15996436

IUPAC6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c[nH]n3c(=O)c(Cc4ccccc4F)c(C)nc23)c1
InChIInChI=1S/C23H21FN4O3/c1-14-18(11-16-7-3-4-9-20(16)24)23(30)28-21(27-14)19(13-26-28)22(29)25-12-15-6-5-8-17(10-15)31-2/h3-10,13,26H,11-12H2,1-2H3,(H,25,29)
InChIKeyUCCUKUHITZMQTE-UHFFFAOYSA-N
MW420.44 g/mol
LogP3.00
Rot. Bonds6

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

6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 15996436) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID15996436
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(CNC(=O)c2c[nH]n3c(=O)c(Cc4ccccc4F)c(C)nc23)c1
InChIInChI=1S/C23H21FN4O3/c1-14-18(11-16-7-3-4-9-20(16)24)23(30)28-21(27-14)19(13-26-28)22(29)25-12-15-6-5-8-17(10-15)31-2/h3-10,13,26H,11-12H2,1-2H3,(H,25,29)
InChIKeyUCCUKUHITZMQTE-UHFFFAOYSA-N
XLogP3.00
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 15996436) is 6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc(CNC(=O)c2c[nH]n3c(=O)c(Cc4ccccc4F)c(C)nc23)c1.
What is the InChIKey of 6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is UCCUKUHITZMQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-14-18(11-16-7-3-4-9-20(16)24)23(30)28-21(27-14)19(13-26-28)22(29)25-12-15-6-5-8-17(10-15)31-2/h3-10,13,26H,11-12H2,1-2H3,(H,25,29).
What are the key properties of 6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 420.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-fluorophenyl)methyl]-N-[(3-methoxyphenyl)methyl]-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 15996436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).