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

C25H20F3N5O2 — CID 1140768

IUPACN-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCc4c[nH]c5ccccc45)c3n2)c1
InChIInChI=1S/C25H20F3N5O2/c1-35-17-6-4-5-15(11-17)21-12-22(25(26,27)28)33-23(32-21)19(14-31-33)24(34)29-10-9-16-13-30-20-8-3-2-7-18(16)20/h2-8,11-14,30H,9-10H2,1H3,(H,29,34)
InChIKeyYVKQBQUQZWVCKK-UHFFFAOYSA-N
MW479.46 g/mol
LogP4.88
Rot. Bonds6

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

N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1140768) has the molecular formula C25H20F3N5O2 and a molecular weight of 479.46 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1140768
Molecular FormulaC25H20F3N5O2
Molecular Weight479.46 g/mol
Exact Mass479.16
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCOc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCc4c[nH]c5ccccc45)c3n2)c1
InChIInChI=1S/C25H20F3N5O2/c1-35-17-6-4-5-15(11-17)21-12-22(25(26,27)28)33-23(32-21)19(14-31-33)24(34)29-10-9-16-13-30-20-8-3-2-7-18(16)20/h2-8,11-14,30H,9-10H2,1H3,(H,29,34)
InChIKeyYVKQBQUQZWVCKK-UHFFFAOYSA-N
XLogP4.88
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.46
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-(difluoromethyl)-N-[2-(1H-indol-3-yl)ethyl]-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17026611
5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 6971349
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 17026464
5-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-1-ium-2-ylethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4517790
5-(4-fluorophenyl)-N-(2-methoxyethyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4261634
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19282996
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110391893
[5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 2031425
N-[2-(1H-indol-3-yl)ethyl]-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 24663736
N-[2-(cyclohexen-1-yl)ethyl]-5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 4087808
[4-(1-adamantyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 4287965
methyl 5-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 673655

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1140768) is N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)NCCc4c[nH]c5ccccc45)c3n2)c1.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is YVKQBQUQZWVCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3N5O2/c1-35-17-6-4-5-15(11-17)21-12-22(25(26,27)28)33-23(32-21)19(14-31-33)24(34)29-10-9-16-13-30-20-8-3-2-7-18(16)20/h2-8,11-14,30H,9-10H2,1H3,(H,29,34).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 479.46 g/mol, XLogP of 4.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1140768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).