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

C25H15ClF3N5O — CID 46883711

IUPAC4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C25H15ClF3N5O/c26-20-5-4-17(13-19(20)25(27,28)29)24(35)32-18-3-1-2-16(12-18)22-8-11-31-23-14-21(33-34(22)23)15-6-9-30-10-7-15/h1-14H,(H,32,35)
InChIKeyNAZBCPATAWKFPO-UHFFFAOYSA-N
MW493.88 g/mol
LogP6.38
Rot. Bonds4

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

4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide (PubChem CID 46883711) has the molecular formula C25H15ClF3N5O and a molecular weight of 493.88 g/mol. Its IUPAC name is 4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
PubChem CID46883711
Molecular FormulaC25H15ClF3N5O
Molecular Weight493.88 g/mol
Exact Mass493.09
IUPAC Name4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C25H15ClF3N5O/c26-20-5-4-17(13-19(20)25(27,28)29)24(35)32-18-3-1-2-16(12-18)22-8-11-31-23-14-21(33-34(22)23)15-6-9-30-10-7-15/h1-14H,(H,32,35)
InChIKeyNAZBCPATAWKFPO-UHFFFAOYSA-N
XLogP6.38
TPSA72.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.88
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide (CID 46883711) is 4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide is O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is NAZBCPATAWKFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15ClF3N5O/c26-20-5-4-17(13-19(20)25(27,28)29)24(35)32-18-3-1-2-16(12-18)22-8-11-31-23-14-21(33-34(22)23)15-6-9-30-10-7-15/h1-14H,(H,32,35).
What are the key properties of 4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide?
4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 493.88 g/mol, XLogP of 6.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 46883711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).