2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide

C18H21F3N6O — CID 19503971

IUPAC2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide
SMILESCCn1ccc(C(C)NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C)nc32)n1
InChIInChI=1S/C18H21F3N6O/c1-5-26-7-6-14(25-26)11(3)23-15(28)9-27-17-16(12(4)24-27)13(18(19,20)21)8-10(2)22-17/h6-8,11H,5,9H2,1-4H3,(H,23,28)
InChIKeyXQJKYYJVNSIVQB-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.16
Rot. Bonds5

About 2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide

2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide (PubChem CID 19503971) has the molecular formula C18H21F3N6O and a molecular weight of 394.40 g/mol. Its IUPAC name is 2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide
PubChem CID19503971
Molecular FormulaC18H21F3N6O
Molecular Weight394.40 g/mol
Exact Mass394.17
IUPAC Name2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide
SMILESCCn1ccc(C(C)NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C)nc32)n1
InChIInChI=1S/C18H21F3N6O/c1-5-26-7-6-14(25-26)11(3)23-15(28)9-27-17-16(12(4)24-27)13(18(19,20)21)8-10(2)22-17/h6-8,11H,5,9H2,1-4H3,(H,23,28)
InChIKeyXQJKYYJVNSIVQB-UHFFFAOYSA-N
XLogP3.16
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503831
N-[1-(1-ethylpyrazol-3-yl)ethyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19519318
2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide
CID 19518258
2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-(3-methylphenyl)acetamide
CID 19503823
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503718
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19505830
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[(1R)-1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 29091639
N-(5-chloro-2-pyridinyl)-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503742
N-[1-(1-ethylpyrazol-3-yl)ethyl]-2-(5-methylpyrazol-1-yl)acetamide
CID 19522974
N-[4-(difluoromethoxy)phenyl]-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503883
N-[3,5-dimethyl-1-(naphthalen-1-ylmethyl)pyrazol-4-yl]-2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]acetamide
CID 19503785
2-[4-(difluoromethyl)-3,6-dimethylpyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19497434

Frequently Asked Questions

What is the IUPAC name of 2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide (CID 19503971) is 2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide is CCn1ccc(C(C)NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C)nc32)n1.
What is the InChIKey of 2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide?
The InChIKey is XQJKYYJVNSIVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N6O/c1-5-26-7-6-14(25-26)11(3)23-15(28)9-27-17-16(12(4)24-27)13(18(19,20)21)8-10(2)22-17/h6-8,11H,5,9H2,1-4H3,(H,23,28).
What are the key properties of 2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide?
2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide has a molecular weight of 394.40 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-dimethyl-4-(trifluoromethyl)pyrazolo[3,4-b]pyridin-1-yl]-N-[1-(1-ethylpyrazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 19503971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).