5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C27H24F3N5O3 — CID 4529425

IUPAC5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C(=O)N5CCCCC5)cc4)cc3n2)cc1
InChIInChI=1S/C27H24F3N5O3/c1-38-20-11-7-17(8-12-20)21-15-23(27(28,29)30)35-24(32-21)16-22(33-35)25(36)31-19-9-5-18(6-10-19)26(37)34-13-3-2-4-14-34/h5-12,15-16H,2-4,13-14H2,1H3,(H,31,36)
InChIKeyOCRAAZVRACDTJJ-UHFFFAOYSA-N
MW523.52 g/mol
LogP5.30
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4529425) has the molecular formula C27H24F3N5O3 and a molecular weight of 523.52 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4529425
Molecular FormulaC27H24F3N5O3
Molecular Weight523.52 g/mol
Exact Mass523.18
IUPAC Name5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C(=O)N5CCCCC5)cc4)cc3n2)cc1
InChIInChI=1S/C27H24F3N5O3/c1-38-20-11-7-17(8-12-20)21-15-23(27(28,29)30)35-24(32-21)16-22(33-35)25(36)31-19-9-5-18(6-10-19)26(37)34-13-3-2-4-14-34/h5-12,15-16H,2-4,13-14H2,1H3,(H,31,36)
InChIKeyOCRAAZVRACDTJJ-UHFFFAOYSA-N
XLogP5.30
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.52
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 4529425) is 5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(C(=O)N5CCCCC5)cc4)cc3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is OCRAAZVRACDTJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O3/c1-38-20-11-7-17(8-12-20)21-15-23(27(28,29)30)35-24(32-21)16-22(33-35)25(36)31-19-9-5-18(6-10-19)26(37)34-13-3-2-4-14-34/h5-12,15-16H,2-4,13-14H2,1H3,(H,31,36).
What are the key properties of 5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 523.52 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4529425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).