5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H16F3N5O2 — CID 6616015

IUPAC5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C22H16F3N5O2/c23-22(24,25)19-10-17(18-6-3-9-32-18)29-20-15(12-28-30(19)20)21(31)26-8-7-13-11-27-16-5-2-1-4-14(13)16/h1-6,9-12,27H,7-8H2,(H,26,31)
InChIKeyXUHKHNMTMNKABL-UHFFFAOYSA-N
MW439.40 g/mol
LogP4.46
Rot. Bonds5

About 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 6616015) has the molecular formula C22H16F3N5O2 and a molecular weight of 439.40 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID6616015
Molecular FormulaC22H16F3N5O2
Molecular Weight439.40 g/mol
Exact Mass439.13
IUPAC Name5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12
InChIInChI=1S/C22H16F3N5O2/c23-22(24,25)19-10-17(18-6-3-9-32-18)29-20-15(12-28-30(19)20)21(31)26-8-7-13-11-27-16-5-2-1-4-14(13)16/h1-6,9-12,27H,7-8H2,(H,26,31)
InChIKeyXUHKHNMTMNKABL-UHFFFAOYSA-N
XLogP4.46
TPSA88.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.40
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 6616015) is 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12.
What is the InChIKey of 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XUHKHNMTMNKABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2/c23-22(24,25)19-10-17(18-6-3-9-32-18)29-20-15(12-28-30(19)20)21(31)26-8-7-13-11-27-16-5-2-1-4-14(13)16/h1-6,9-12,27H,7-8H2,(H,26,31).
What are the key properties of 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 439.40 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 6616015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).