5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C25H23F3N6O3 — CID 24771555

IUPAC5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCNC(=O)c3cccnc3)cnn2c(C)c1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C25H23F3N6O3/c1-15-20(12-17-5-3-7-19(11-17)37-25(26,27)28)16(2)34-22(33-15)21(14-32-34)24(36)31-10-9-30-23(35)18-6-4-8-29-13-18/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,30,35)(H,31,36)
InChIKeyRQOJPOHVLZAYLM-UHFFFAOYSA-N
MW512.49 g/mol
LogP3.39
Rot. Bonds8

About 5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 24771555) has the molecular formula C25H23F3N6O3 and a molecular weight of 512.49 g/mol. Its IUPAC name is 5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID24771555
Molecular FormulaC25H23F3N6O3
Molecular Weight512.49 g/mol
Exact Mass512.18
IUPAC Name5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCCNC(=O)c3cccnc3)cnn2c(C)c1Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C25H23F3N6O3/c1-15-20(12-17-5-3-7-19(11-17)37-25(26,27)28)16(2)34-22(33-15)21(14-32-34)24(36)31-10-9-30-23(35)18-6-4-8-29-13-18/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,30,35)(H,31,36)
InChIKeyRQOJPOHVLZAYLM-UHFFFAOYSA-N
XLogP3.39
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.49
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 24771555) is 5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCCNC(=O)c3cccnc3)cnn2c(C)c1Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is RQOJPOHVLZAYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O3/c1-15-20(12-17-5-3-7-19(11-17)37-25(26,27)28)16(2)34-22(33-15)21(14-32-34)24(36)31-10-9-30-23(35)18-6-4-8-29-13-18/h3-8,11,13-14H,9-10,12H2,1-2H3,(H,30,35)(H,31,36).
What are the key properties of 5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 512.49 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-[2-(pyridine-3-carbonylamino)ethyl]-6-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 24771555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).