7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C19H14FN5O — CID 46160073

IUPAC7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cnn2c(-c3cccc(F)c3)ccnc12
InChIInChI=1S/C19H14FN5O/c20-15-3-1-2-14(10-15)17-6-9-22-18-16(12-24-25(17)18)19(26)23-11-13-4-7-21-8-5-13/h1-10,12H,11H2,(H,23,26)
InChIKeyPXRRNNQTSBFRAT-UHFFFAOYSA-N
MW347.35 g/mol
LogP2.86
Rot. Bonds4

About 7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 46160073) has the molecular formula C19H14FN5O and a molecular weight of 347.35 g/mol. Its IUPAC name is 7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID46160073
Molecular FormulaC19H14FN5O
Molecular Weight347.35 g/mol
Exact Mass347.12
IUPAC Name7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1cnn2c(-c3cccc(F)c3)ccnc12
InChIInChI=1S/C19H14FN5O/c20-15-3-1-2-14(10-15)17-6-9-22-18-16(12-24-25(17)18)19(26)23-11-13-4-7-21-8-5-13/h1-10,12H,11H2,(H,23,26)
InChIKeyPXRRNNQTSBFRAT-UHFFFAOYSA-N
XLogP2.86
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 46160073) is 7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCc1ccncc1)c1cnn2c(-c3cccc(F)c3)ccnc12.
What is the InChIKey of 7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PXRRNNQTSBFRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O/c20-15-3-1-2-14(10-15)17-6-9-22-18-16(12-24-25(17)18)19(26)23-11-13-4-7-21-8-5-13/h1-10,12H,11H2,(H,23,26).
What are the key properties of 7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 347.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3-fluorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 46160073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).