5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

C22H20F3N5O2 — CID 2944964

IUPAC5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)19-10-16(18-6-3-9-32-18)28-20-11-17(29-30(19)20)21(31)26-8-7-13-12-27-15-5-2-1-4-14(13)15/h1-6,9,11-12,16,19,27-28H,7-8,10H2,(H,26,31)
InChIKeyUQRIQCSVYYSEOG-UHFFFAOYSA-N
MW443.43 g/mol
LogP4.59
Rot. Bonds5

About 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide

5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 2944964) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID2944964
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC Name5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2
InChIInChI=1S/C22H20F3N5O2/c23-22(24,25)19-10-16(18-6-3-9-32-18)28-20-11-17(29-30(19)20)21(31)26-8-7-13-12-27-15-5-2-1-4-14(13)15/h1-6,9,11-12,16,19,27-28H,7-8,10H2,(H,26,31)
InChIKeyUQRIQCSVYYSEOG-UHFFFAOYSA-N
XLogP4.59
TPSA87.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 54.59
H-Bond Donors ≤ 53
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)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 2944964) is 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2.
What is the InChIKey of 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is UQRIQCSVYYSEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c23-22(24,25)19-10-16(18-6-3-9-32-18)28-20-11-17(29-30(19)20)21(31)26-8-7-13-12-27-15-5-2-1-4-14(13)15/h1-6,9,11-12,16,19,27-28H,7-8,10H2,(H,26,31).
What are the key properties of 5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide?
5-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 443.43 g/mol, XLogP of 4.59, 5 rotatable bonds, 3 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)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 2944964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).