2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide

C21H17F3N6O2 — CID 90119338

IUPAC2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide
SMILESO=C(Cc1ccncc1)Nc1nccc2nn(Cc3ccc(OCC(F)(F)F)nc3)cc12
InChIInChI=1S/C21H17F3N6O2/c22-21(23,24)13-32-19-2-1-15(10-27-19)11-30-12-16-17(29-30)5-8-26-20(16)28-18(31)9-14-3-6-25-7-4-14/h1-8,10,12H,9,11,13H2,(H,26,28,31)
InChIKeyLWBHPGIBTSAVOH-UHFFFAOYSA-N
MW442.40 g/mol
LogP3.39
Rot. Bonds7

About 2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide

2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide (PubChem CID 90119338) has the molecular formula C21H17F3N6O2 and a molecular weight of 442.40 g/mol. Its IUPAC name is 2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide.

Molecular Properties

Compound Name2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide
PubChem CID90119338
Molecular FormulaC21H17F3N6O2
Molecular Weight442.40 g/mol
Exact Mass442.14
IUPAC Name2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide
SMILESO=C(Cc1ccncc1)Nc1nccc2nn(Cc3ccc(OCC(F)(F)F)nc3)cc12
InChIInChI=1S/C21H17F3N6O2/c22-21(23,24)13-32-19-2-1-15(10-27-19)11-30-12-16-17(29-30)5-8-26-20(16)28-18(31)9-14-3-6-25-7-4-14/h1-8,10,12H,9,11,13H2,(H,26,28,31)
InChIKeyLWBHPGIBTSAVOH-UHFFFAOYSA-N
XLogP3.39
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
CID 74539253
N-(3-hydroxypropyl)-2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridine-4-carboxamide
CID 90118476
N-[2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 74539753
N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 74539473
N-[2-[[5-methoxy-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide
CID 90118945
N-[2-[[5-chloro-6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]-2-methylpropanamide
CID 90118905
2-methyl-N-[2-[[6-methyl-5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
CID 90118874
(2S)-N-[2-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]oxolane-2-carboxamide
CID 74538922
N-[2-[[6-(2,2-difluoroethoxy)-5-methyl-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]propanamide
CID 74539180
N-(2-methylpropyl)-2-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine
CID 150031182
2-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-N-ethylpyrazolo[4,3-c]pyridine-4-carboxamide
CID 90119151
N-[2-[[4-methyl-5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]cyclopropanecarboxamide
CID 90118610

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide?
The IUPAC name of 2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide (CID 90119338) is 2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide.
What is the SMILES notation for 2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide?
The canonical SMILES for 2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide is O=C(Cc1ccncc1)Nc1nccc2nn(Cc3ccc(OCC(F)(F)F)nc3)cc12.
What is the InChIKey of 2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide?
The InChIKey is LWBHPGIBTSAVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O2/c22-21(23,24)13-32-19-2-1-15(10-27-19)11-30-12-16-17(29-30)5-8-26-20(16)28-18(31)9-14-3-6-25-7-4-14/h1-8,10,12H,9,11,13H2,(H,26,28,31).
What are the key properties of 2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide?
2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide has a molecular weight of 442.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-4-yl-N-[2-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazolo[4,3-c]pyridin-4-yl]acetamide is sourced from PubChem (CID 90119338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).