3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide

C24H15Cl2N5O — CID 46883710

IUPAC3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H15Cl2N5O/c25-19-5-4-17(13-20(19)26)24(32)29-18-3-1-2-16(12-18)22-8-11-28-23-14-21(30-31(22)23)15-6-9-27-10-7-15/h1-14H,(H,29,32)
InChIKeyHZKVQTZSYHOKCL-UHFFFAOYSA-N
MW460.32 g/mol
LogP6.02
Rot. Bonds4

About 3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide

3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide (PubChem CID 46883710) has the molecular formula C24H15Cl2N5O and a molecular weight of 460.32 g/mol. Its IUPAC name is 3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
PubChem CID46883710
Molecular FormulaC24H15Cl2N5O
Molecular Weight460.32 g/mol
Exact Mass459.07
IUPAC Name3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C24H15Cl2N5O/c25-19-5-4-17(13-20(19)26)24(32)29-18-3-1-2-16(12-18)22-8-11-28-23-14-21(30-31(22)23)15-6-9-27-10-7-15/h1-14H,(H,29,32)
InChIKeyHZKVQTZSYHOKCL-UHFFFAOYSA-N
XLogP6.02
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.32
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
The IUPAC name of 3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide (CID 46883710) is 3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide.
What is the SMILES notation for 3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
The canonical SMILES for 3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
The InChIKey is HZKVQTZSYHOKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl2N5O/c25-19-5-4-17(13-20(19)26)24(32)29-18-3-1-2-16(12-18)22-8-11-28-23-14-21(30-31(22)23)15-6-9-27-10-7-15/h1-14H,(H,29,32).
What are the key properties of 3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide has a molecular weight of 460.32 g/mol, XLogP of 6.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide is sourced from PubChem (CID 46883710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).