3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole

C19H17F6N5O — CID 90400906

IUPAC3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole
SMILESFC(F)(F)CN1CCN(c2cc(-c3n[nH]c4ccc(OC(F)(F)F)cc34)ccn2)CC1
InChIInChI=1S/C19H17F6N5O/c20-18(21,22)11-29-5-7-30(8-6-29)16-9-12(3-4-26-16)17-14-10-13(31-19(23,24)25)1-2-15(14)27-28-17/h1-4,9-10H,5-8,11H2,(H,27,28)
InChIKeyGEOJICFDIXZARW-UHFFFAOYSA-N
MW445.37 g/mol
LogP4.21
Rot. Bonds4

About 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole

3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole (PubChem CID 90400906) has the molecular formula C19H17F6N5O and a molecular weight of 445.37 g/mol. Its IUPAC name is 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole.

Molecular Properties

Compound Name3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole
PubChem CID90400906
Molecular FormulaC19H17F6N5O
Molecular Weight445.37 g/mol
Exact Mass445.13
IUPAC Name3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole
SMILESFC(F)(F)CN1CCN(c2cc(-c3n[nH]c4ccc(OC(F)(F)F)cc34)ccn2)CC1
InChIInChI=1S/C19H17F6N5O/c20-18(21,22)11-29-5-7-30(8-6-29)16-9-12(3-4-26-16)17-14-10-13(31-19(23,24)25)1-2-15(14)27-28-17/h1-4,9-10H,5-8,11H2,(H,27,28)
InChIKeyGEOJICFDIXZARW-UHFFFAOYSA-N
XLogP4.21
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3S)-1-[4-[5-(trifluoromethoxy)-1H-indazol-3-yl]-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 90400768
3-(2-piperidin-1-yl-4-pyridinyl)-5-propoxy-1H-indazole
CID 90400886
2-methyl-1-[[3-(2-morpholin-4-yl-4-pyridinyl)-1H-indazol-5-yl]oxy]propan-2-ol
CID 90400992
5-ethoxy-3-[2-(4-methylsulfonylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 90400944
5-(1-methylcyclopropyl)oxy-3-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 78321211
3-[2-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]-4-pyridinyl]-5-propan-2-yloxy-1H-indazole
CID 118657118
4-[4-(5-ethyl-1H-indazol-3-yl)-2-pyridinyl]morpholine
CID 123590663
3-(2-pyrrolidin-1-yl-4-pyridinyl)-1H-indazole
CID 85472972
4-[4-[5-(2-methoxyethoxy)-1H-indazol-3-yl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 90400966
5-(2-fluoro-4-methoxy-3-pyridinyl)-3-[2-(4-sulfanylpiperazin-1-yl)-4-pyridinyl]-1H-indazole
CID 144697519
4-[4-(5-propan-2-yloxy-1H-indazol-3-yl)-2-pyridinyl]piperazin-2-one
CID 90400815
5-[5-methyl-1-[[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]methyl]pyrazol-3-yl]-3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazole
CID 87377335

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole?
The IUPAC name of 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole (CID 90400906) is 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole.
What is the SMILES notation for 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole?
The canonical SMILES for 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole is FC(F)(F)CN1CCN(c2cc(-c3n[nH]c4ccc(OC(F)(F)F)cc34)ccn2)CC1.
What is the InChIKey of 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole?
The InChIKey is GEOJICFDIXZARW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6N5O/c20-18(21,22)11-29-5-7-30(8-6-29)16-9-12(3-4-26-16)17-14-10-13(31-19(23,24)25)1-2-15(14)27-28-17/h1-4,9-10H,5-8,11H2,(H,27,28).
What are the key properties of 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole?
3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole has a molecular weight of 445.37 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-4-pyridinyl]-5-(trifluoromethoxy)-1H-indazole is sourced from PubChem (CID 90400906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).