6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid

C21H16FN5O2 — CID 58662343

IUPAC6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cc(-c3ccccc3F)nc3cc(C4CC4)nn23)nc1
InChIInChI=1S/C21H16FN5O2/c22-15-4-2-1-3-14(15)17-10-20(25-18-8-7-13(11-23-18)21(28)29)27-19(24-17)9-16(26-27)12-5-6-12/h1-4,7-12H,5-6H2,(H,23,25)(H,28,29)
InChIKeyPXFDDLKCWDOORV-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.25
Rot. Bonds5

About 6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid

6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid (PubChem CID 58662343) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid
PubChem CID58662343
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2cc(-c3ccccc3F)nc3cc(C4CC4)nn23)nc1
InChIInChI=1S/C21H16FN5O2/c22-15-4-2-1-3-14(15)17-10-20(25-18-8-7-13(11-23-18)21(28)29)27-19(24-17)9-16(26-27)12-5-6-12/h1-4,7-12H,5-6H2,(H,23,25)(H,28,29)
InChIKeyPXFDDLKCWDOORV-UHFFFAOYSA-N
XLogP4.25
TPSA92.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid (CID 58662343) is 6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(Nc2cc(-c3ccccc3F)nc3cc(C4CC4)nn23)nc1.
What is the InChIKey of 6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid?
The InChIKey is PXFDDLKCWDOORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c22-15-4-2-1-3-14(15)17-10-20(25-18-8-7-13(11-23-18)21(28)29)27-19(24-17)9-16(26-27)12-5-6-12/h1-4,7-12H,5-6H2,(H,23,25)(H,28,29).
What are the key properties of 6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid?
6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid has a molecular weight of 389.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-cyclopropyl-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 58662343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).