5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C23H18F3N5O4 — CID 1164991

IUPAC5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C23H18F3N5O4/c24-23(25,26)19-12-16(18-2-1-9-35-18)28-20-13-17(29-31(19)20)21(32)27-15-5-3-14(4-6-15)22(33)30-7-10-34-11-8-30/h1-6,9,12-13H,7-8,10-11H2,(H,27,32)
InChIKeyMIQMWFHHMZCQEO-UHFFFAOYSA-N
MW485.42 g/mol
LogP3.73
Rot. Bonds4

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

5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1164991) has the molecular formula C23H18F3N5O4 and a molecular weight of 485.42 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1164991
Molecular FormulaC23H18F3N5O4
Molecular Weight485.42 g/mol
Exact Mass485.13
IUPAC Name5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1
InChIInChI=1S/C23H18F3N5O4/c24-23(25,26)19-12-16(18-2-1-9-35-18)28-20-13-17(29-31(19)20)21(32)27-15-5-3-14(4-6-15)22(33)30-7-10-34-11-8-30/h1-6,9,12-13H,7-8,10-11H2,(H,27,32)
InChIKeyMIQMWFHHMZCQEO-UHFFFAOYSA-N
XLogP3.73
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1164991) is 5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(Nc1ccc(C(=O)N2CCOCC2)cc1)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1.
What is the InChIKey of 5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is MIQMWFHHMZCQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N5O4/c24-23(25,26)19-12-16(18-2-1-9-35-18)28-20-13-17(29-31(19)20)21(32)27-15-5-3-14(4-6-15)22(33)30-7-10-34-11-8-30/h1-6,9,12-13H,7-8,10-11H2,(H,27,32).
What are the key properties of 5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 485.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[4-(morpholine-4-carbonyl)phenyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1164991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).