2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide

C21H25F3N6O — CID 19505830

IUPAC2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
SMILESCCn1ncc(C(C)NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)c1C
InChIInChI=1S/C21H25F3N6O/c1-5-29-13(4)15(9-25-29)11(2)26-18(31)10-30-20-19(12(3)28-30)16(21(22,23)24)8-17(27-20)14-6-7-14/h8-9,11,14H,5-7,10H2,1-4H3,(H,26,31)
InChIKeyMZOJLFPLAHZPMR-UHFFFAOYSA-N
MW434.47 g/mol
LogP4.04
Rot. Bonds6

About 2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide

2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 19505830) has the molecular formula C21H25F3N6O and a molecular weight of 434.47 g/mol. Its IUPAC name is 2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID19505830
Molecular FormulaC21H25F3N6O
Molecular Weight434.47 g/mol
Exact Mass434.20
IUPAC Name2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
SMILESCCn1ncc(C(C)NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)c1C
InChIInChI=1S/C21H25F3N6O/c1-5-29-13(4)15(9-25-29)11(2)26-18(31)10-30-20-19(12(3)28-30)16(21(22,23)24)8-17(27-20)14-6-7-14/h8-9,11,14H,5-7,10H2,1-4H3,(H,26,31)
InChIKeyMZOJLFPLAHZPMR-UHFFFAOYSA-N
XLogP4.04
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.47
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 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) is 2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide is CCn1ncc(C(C)NC(=O)Cn2nc(C)c3c(C(F)(F)F)cc(C4CC4)nc32)c1C.
What is the InChIKey of 2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is MZOJLFPLAHZPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F3N6O/c1-5-29-13(4)15(9-25-29)11(2)26-18(31)10-30-20-19(12(3)28-30)16(21(22,23)24)8-17(27-20)14-6-7-14/h8-9,11,14H,5-7,10H2,1-4H3,(H,26,31).
What are the key properties of 2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide?
2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 434.47 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-cyclopropyl-3-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 19505830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).