3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

C22H16F4N6 — CID 135227301

IUPAC3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)ccn1
InChIInChI=1S/C22H16F4N6/c1-11(2)16-7-12(5-6-27-16)17-10-32-18(9-28-17)30-21(22(24,25)26)20(32)13-3-4-15-14(19(13)23)8-29-31-15/h3-11H,1-2H3,(H,29,31)
InChIKeyNOYFOYLZIHDMAW-UHFFFAOYSA-N
MW440.40 g/mol
LogP5.62
Rot. Bonds3

About 3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 135227301) has the molecular formula C22H16F4N6 and a molecular weight of 440.40 g/mol. Its IUPAC name is 3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID135227301
Molecular FormulaC22H16F4N6
Molecular Weight440.40 g/mol
Exact Mass440.14
IUPAC Name3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)ccn1
InChIInChI=1S/C22H16F4N6/c1-11(2)16-7-12(5-6-27-16)17-10-32-18(9-28-17)30-21(22(24,25)26)20(32)13-3-4-15-14(19(13)23)8-29-31-15/h3-11H,1-2H3,(H,29,31)
InChIKeyNOYFOYLZIHDMAW-UHFFFAOYSA-N
XLogP5.62
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.40
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 135227301) is 3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC(C)c1cc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C(F)(F)F)nc3cn2)ccn1.
What is the InChIKey of 3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is NOYFOYLZIHDMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F4N6/c1-11(2)16-7-12(5-6-27-16)17-10-32-18(9-28-17)30-21(22(24,25)26)20(32)13-3-4-15-14(19(13)23)8-29-31-15/h3-11H,1-2H3,(H,29,31).
What are the key properties of 3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 440.40 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-1H-indazol-5-yl)-6-(2-propan-2-yl-4-pyridinyl)-2-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).