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

C21H22F3N5O3 — CID 67209280

IUPAC2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cn1
InChIInChI=1S/C21H22F3N5O3/c1-11(13-6-7-16(31-3)25-9-13)26-15(30)10-32-17-8-14(21(22,23)24)18-19(12-4-5-12)28-29(2)20(18)27-17/h6-9,11-12H,4-5,10H2,1-3H3,(H,26,30)
InChIKeyUKGSBPIAOPOOHI-UHFFFAOYSA-N
MW449.43 g/mol
LogP3.52
Rot. Bonds7

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

2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide (PubChem CID 67209280) has the molecular formula C21H22F3N5O3 and a molecular weight of 449.43 g/mol. Its IUPAC name is 2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide
PubChem CID67209280
Molecular FormulaC21H22F3N5O3
Molecular Weight449.43 g/mol
Exact Mass449.17
IUPAC Name2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide
SMILESCOc1ccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cn1
InChIInChI=1S/C21H22F3N5O3/c1-11(13-6-7-16(31-3)25-9-13)26-15(30)10-32-17-8-14(21(22,23)24)18-19(12-4-5-12)28-29(2)20(18)27-17/h6-9,11-12H,4-5,10H2,1-3H3,(H,26,30)
InChIKeyUKGSBPIAOPOOHI-UHFFFAOYSA-N
XLogP3.52
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide?
The IUPAC name of 2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide (CID 67209280) is 2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide?
The canonical SMILES for 2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide is COc1ccc(C(C)NC(=O)COc2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cn1.
What is the InChIKey of 2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide?
The InChIKey is UKGSBPIAOPOOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O3/c1-11(13-6-7-16(31-3)25-9-13)26-15(30)10-32-17-8-14(21(22,23)24)18-19(12-4-5-12)28-29(2)20(18)27-17/h6-9,11-12H,4-5,10H2,1-3H3,(H,26,30).
What are the key properties of 2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide?
2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide has a molecular weight of 449.43 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]oxy-N-[1-(6-methoxy-3-pyridinyl)ethyl]acetamide is sourced from PubChem (CID 67209280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).