3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen

C19H16FN5O — CID 158033878

IUPAC3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen
SMILESCc1ccc(C(=O)Nc2ccnc(-c3cnn4cccnc34)c2)cc1F.[H][H]
InChIInChI=1S/C19H14FN5O.H2/c1-12-3-4-13(9-16(12)20)19(26)24-14-5-7-21-17(10-14)15-11-23-25-8-2-6-22-18(15)25;/h2-11H,1H3,(H,21,24,26);1H
InChIKeyFHMWJBNLUWVOLC-UHFFFAOYSA-N
MW349.37 g/mol
LogP3.74
Rot. Bonds3

About 3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen

3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen (PubChem CID 158033878) has the molecular formula C19H16FN5O and a molecular weight of 349.37 g/mol. Its IUPAC name is 3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen.

Molecular Properties

Compound Name3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen
PubChem CID158033878
Molecular FormulaC19H16FN5O
Molecular Weight349.37 g/mol
Exact Mass349.13
IUPAC Name3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen
SMILESCc1ccc(C(=O)Nc2ccnc(-c3cnn4cccnc34)c2)cc1F.[H][H]
InChIInChI=1S/C19H14FN5O.H2/c1-12-3-4-13(9-16(12)20)19(26)24-14-5-7-21-17(10-14)15-11-23-25-8-2-6-22-18(15)25;/h2-11H,1H3,(H,21,24,26);1H
InChIKeyFHMWJBNLUWVOLC-UHFFFAOYSA-N
XLogP3.74
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen?
The IUPAC name of 3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen (CID 158033878) is 3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen.
What is the SMILES notation for 3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen?
The canonical SMILES for 3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen is Cc1ccc(C(=O)Nc2ccnc(-c3cnn4cccnc34)c2)cc1F.[H][H].
What is the InChIKey of 3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen?
The InChIKey is FHMWJBNLUWVOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O.H2/c1-12-3-4-13(9-16(12)20)19(26)24-14-5-7-21-17(10-14)15-11-23-25-8-2-6-22-18(15)25;/h2-11H,1H3,(H,21,24,26);1H.
What are the key properties of 3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen?
3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen has a molecular weight of 349.37 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methyl-N-(2-pyrazolo[1,5-a]pyrimidin-3-yl-4-pyridinyl)benzamide;molecular hydrogen is sourced from PubChem (CID 158033878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).