3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine

C24H20F3N5O — CID 142401414

IUPAC3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESCOc1cc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc2cn[nH]c12
InChIInChI=1S/C24H20F3N5O/c1-13(2)21-23(15-7-16-10-29-31-22(16)19(9-15)33-3)32-12-18(28-11-20(32)30-21)14-5-4-6-17(8-14)24(25,26)27/h4-13H,1-3H3,(H,29,31)
InChIKeyBIPLIUOYVYFXKM-UHFFFAOYSA-N
MW451.45 g/mol
LogP6.09
Rot. Bonds4

About 3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine

3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 142401414) has the molecular formula C24H20F3N5O and a molecular weight of 451.45 g/mol. Its IUPAC name is 3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
PubChem CID142401414
Molecular FormulaC24H20F3N5O
Molecular Weight451.45 g/mol
Exact Mass451.16
IUPAC Name3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESCOc1cc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc2cn[nH]c12
InChIInChI=1S/C24H20F3N5O/c1-13(2)21-23(15-7-16-10-29-31-22(16)19(9-15)33-3)32-12-18(28-11-20(32)30-21)14-5-4-6-17(8-14)24(25,26)27/h4-13H,1-3H3,(H,29,31)
InChIKeyBIPLIUOYVYFXKM-UHFFFAOYSA-N
XLogP6.09
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.45
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (CID 142401414) is 3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is COc1cc(-c2c(C(C)C)nc3cnc(-c4cccc(C(F)(F)F)c4)cn23)cc2cn[nH]c12.
What is the InChIKey of 3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is BIPLIUOYVYFXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O/c1-13(2)21-23(15-7-16-10-29-31-22(16)19(9-15)33-3)32-12-18(28-11-20(32)30-21)14-5-4-6-17(8-14)24(25,26)27/h4-13H,1-3H3,(H,29,31).
What are the key properties of 3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 451.45 g/mol, XLogP of 6.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methoxy-1H-indazol-5-yl)-2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 142401414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).