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

C24H16ClN5O — CID 46883708

IUPAC3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1cccc(Cl)c1
InChIInChI=1S/C24H16ClN5O/c25-19-5-1-4-18(13-19)24(31)28-20-6-2-3-17(14-20)22-9-12-27-23-15-21(29-30(22)23)16-7-10-26-11-8-16/h1-15H,(H,28,31)
InChIKeyXOPKUUJHGXTLIH-UHFFFAOYSA-N
MW425.88 g/mol
LogP5.36
Rot. Bonds4

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

3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide (PubChem CID 46883708) has the molecular formula C24H16ClN5O and a molecular weight of 425.88 g/mol. Its IUPAC name is 3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
PubChem CID46883708
Molecular FormulaC24H16ClN5O
Molecular Weight425.88 g/mol
Exact Mass425.10
IUPAC Name3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1cccc(Cl)c1
InChIInChI=1S/C24H16ClN5O/c25-19-5-1-4-18(13-19)24(31)28-20-6-2-3-17(14-20)22-9-12-27-23-15-21(29-30(22)23)16-7-10-26-11-8-16/h1-15H,(H,28,31)
InChIKeyXOPKUUJHGXTLIH-UHFFFAOYSA-N
XLogP5.36
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.88
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide (CID 46883708) is 3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
The InChIKey is XOPKUUJHGXTLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClN5O/c25-19-5-1-4-18(13-19)24(31)28-20-6-2-3-17(14-20)22-9-12-27-23-15-21(29-30(22)23)16-7-10-26-11-8-16/h1-15H,(H,28,31).
What are the key properties of 3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide?
3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide has a molecular weight of 425.88 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]benzamide is sourced from PubChem (CID 46883708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).