N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C26H22F3N5O3 — CID 17026464

About N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 17026464) has the molecular formula C26H22F3N5O3 and a molecular weight of 509.49 g/mol. Its IUPAC name is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• PubChem CID: 17026464
• Molecular Formula: C26H22F3N5O3
• Molecular Weight: 509.49 g/mol
• Exact Mass: 509.17
• IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
• SMILES: COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4c[nH]c5ccc(OC)cc45)cc3n2)cc1
• InChI: InChI=1S/C26H22F3N5O3/c1-36-17-5-3-15(4-6-17)21-12-23(26(27,28)29)34-24(32-21)13-22(33-34)25(35)30-10-9-16-14-31-20-8-7-18(37-2)11-19(16)20/h3-8,11-14,31H,9-10H2,1-2H3,(H,30,35)
• InChIKey: MGUDDGSRVJKPSE-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 93.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.49
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The IUPAC name of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 17026464) is N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

What is the SMILES notation for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The canonical SMILES for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCCc4c[nH]c5ccc(OC)cc45)cc3n2)cc1.

What is the InChIKey of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

The InChIKey is MGUDDGSRVJKPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O3/c1-36-17-5-3-15(4-6-17)21-12-23(26(27,28)29)34-24(32-21)13-22(33-34)25(35)30-10-9-16-14-31-20-8-7-18(37-2)11-19(16)20/h3-8,11-14,31H,9-10H2,1-2H3,(H,30,35).

What are the key properties of N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 509.49 g/mol, XLogP of 4.89, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 17026464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).