3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C19H25FN4O5 — CID 71065391

IUPAC3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCC(C)(CCC(C)CNC(=O)c1cc(C(=O)O)nc2c(F)cnn12)C(=O)OC
InChIInChI=1S/C19H25FN4O5/c1-5-19(3,18(28)29-4)7-6-11(2)9-21-16(25)14-8-13(17(26)27)23-15-12(20)10-22-24(14)15/h8,10-11H,5-7,9H2,1-4H3,(H,21,25)(H,26,27)
InChIKeyQHZRZDQKRSCALF-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.30
Rot. Bonds9

About 3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid

3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 71065391) has the molecular formula C19H25FN4O5 and a molecular weight of 408.43 g/mol. Its IUPAC name is 3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID71065391
Molecular FormulaC19H25FN4O5
Molecular Weight408.43 g/mol
Exact Mass408.18
IUPAC Name3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCC(C)(CCC(C)CNC(=O)c1cc(C(=O)O)nc2c(F)cnn12)C(=O)OC
InChIInChI=1S/C19H25FN4O5/c1-5-19(3,18(28)29-4)7-6-11(2)9-21-16(25)14-8-13(17(26)27)23-15-12(20)10-22-24(14)15/h8,10-11H,5-7,9H2,1-4H3,(H,21,25)(H,26,27)
InChIKeyQHZRZDQKRSCALF-UHFFFAOYSA-N
XLogP2.30
TPSA122.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 71065391) is 3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCC(C)(CCC(C)CNC(=O)c1cc(C(=O)O)nc2c(F)cnn12)C(=O)OC.
What is the InChIKey of 3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is QHZRZDQKRSCALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O5/c1-5-19(3,18(28)29-4)7-6-11(2)9-21-16(25)14-8-13(17(26)27)23-15-12(20)10-22-24(14)15/h8,10-11H,5-7,9H2,1-4H3,(H,21,25)(H,26,27).
What are the key properties of 3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 408.43 g/mol, XLogP of 2.30, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-7-[(5-methoxycarbonyl-2,5-dimethylheptyl)carbamoyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 71065391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).