2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

C20H17F3N4O3 — CID 164537541

IUPAC2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c2c(nn1-c1ccc(Oc3cccc(OC(F)(F)F)c3)cc1)CCCN2
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)30-15-4-1-3-14(11-15)29-13-8-6-12(7-9-13)27-18(19(24)28)17-16(26-27)5-2-10-25-17/h1,3-4,6-9,11,25H,2,5,10H2,(H2,24,28)
InChIKeyGXPZTVZECFOIJQ-UHFFFAOYSA-N
MW418.38 g/mol
LogP4.02
Rot. Bonds5

About 2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide

2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (PubChem CID 164537541) has the molecular formula C20H17F3N4O3 and a molecular weight of 418.38 g/mol. Its IUPAC name is 2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
PubChem CID164537541
Molecular FormulaC20H17F3N4O3
Molecular Weight418.38 g/mol
Exact Mass418.13
IUPAC Name2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide
SMILESNC(=O)c1c2c(nn1-c1ccc(Oc3cccc(OC(F)(F)F)c3)cc1)CCCN2
InChIInChI=1S/C20H17F3N4O3/c21-20(22,23)30-15-4-1-3-14(11-15)29-13-8-6-12(7-9-13)27-18(19(24)28)17-16(26-27)5-2-10-25-17/h1,3-4,6-9,11,25H,2,5,10H2,(H2,24,28)
InChIKeyGXPZTVZECFOIJQ-UHFFFAOYSA-N
XLogP4.02
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.38
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide (CID 164537541) is 2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is NC(=O)c1c2c(nn1-c1ccc(Oc3cccc(OC(F)(F)F)c3)cc1)CCCN2.
What is the InChIKey of 2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
The InChIKey is GXPZTVZECFOIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3/c21-20(22,23)30-15-4-1-3-14(11-15)29-13-8-6-12(7-9-13)27-18(19(24)28)17-16(26-27)5-2-10-25-17/h1,3-4,6-9,11,25H,2,5,10H2,(H2,24,28).
What are the key properties of 2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide?
2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide has a molecular weight of 418.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(trifluoromethoxy)phenoxy]phenyl]-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 164537541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).