5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H20FN5O — CID 170090156

IUPAC5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN1CC(NC(=O)c2cc3nc(-c4ccccc4F)cc(-c4ccccc4)n3n2)C1
InChIInChI=1S/C23H20FN5O/c1-28-13-16(14-28)25-23(30)20-12-22-26-19(17-9-5-6-10-18(17)24)11-21(29(22)27-20)15-7-3-2-4-8-15/h2-12,16H,13-14H2,1H3,(H,25,30)
InChIKeyXFSFTTXKRXKOEP-UHFFFAOYSA-N
MW401.45 g/mol
LogP3.25
Rot. Bonds4

About 5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 170090156) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID170090156
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCN1CC(NC(=O)c2cc3nc(-c4ccccc4F)cc(-c4ccccc4)n3n2)C1
InChIInChI=1S/C23H20FN5O/c1-28-13-16(14-28)25-23(30)20-12-22-26-19(17-9-5-6-10-18(17)24)11-21(29(22)27-20)15-7-3-2-4-8-15/h2-12,16H,13-14H2,1H3,(H,25,30)
InChIKeyXFSFTTXKRXKOEP-UHFFFAOYSA-N
XLogP3.25
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 170090156) is 5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is CN1CC(NC(=O)c2cc3nc(-c4ccccc4F)cc(-c4ccccc4)n3n2)C1.
What is the InChIKey of 5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is XFSFTTXKRXKOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-28-13-16(14-28)25-23(30)20-12-22-26-19(17-9-5-6-10-18(17)24)11-21(29(22)27-20)15-7-3-2-4-8-15/h2-12,16H,13-14H2,1H3,(H,25,30).
What are the key properties of 5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 401.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-(1-methylazetidin-3-yl)-7-phenylpyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 170090156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).