methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate

C19H14N4O2 — CID 134558467

IUPACmethyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1
InChIInChI=1S/C19H14N4O2/c1-25-19(24)14-7-9-20-17(11-14)15-12-21-23-10-8-16(22-18(15)23)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyXJRLHAXPSWZAHA-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.24
Rot. Bonds3

About methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate

methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate (PubChem CID 134558467) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate
PubChem CID134558467
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Namemethyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1
InChIInChI=1S/C19H14N4O2/c1-25-19(24)14-7-9-20-17(11-14)15-12-21-23-10-8-16(22-18(15)23)13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyXJRLHAXPSWZAHA-UHFFFAOYSA-N
XLogP3.24
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate (CID 134558467) is methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate is COC(=O)c1ccnc(-c2cnn3ccc(-c4ccccc4)nc23)c1.
What is the InChIKey of methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate?
The InChIKey is XJRLHAXPSWZAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2/c1-25-19(24)14-7-9-20-17(11-14)15-12-21-23-10-8-16(22-18(15)23)13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate?
methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate has a molecular weight of 330.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylate is sourced from PubChem (CID 134558467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).