N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine

C26H22F3N5O — CID 67415529

IUPACN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3c(C)c(-c4ccccc4C(F)(F)F)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H22F3N5O/c1-16-14-33(15-30-16)22-11-10-18(13-23(22)35-3)31-21-9-6-12-34-17(2)24(32-25(21)34)19-7-4-5-8-20(19)26(27,28)29/h4-15,31H,1-3H3
InChIKeySLWLCVIREPCKSX-UHFFFAOYSA-N
MW477.49 g/mol
LogP6.57
Rot. Bonds5

About N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine

N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine (PubChem CID 67415529) has the molecular formula C26H22F3N5O and a molecular weight of 477.49 g/mol. Its IUPAC name is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine
PubChem CID67415529
Molecular FormulaC26H22F3N5O
Molecular Weight477.49 g/mol
Exact Mass477.18
IUPAC NameN-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine
SMILESCOc1cc(Nc2cccn3c(C)c(-c4ccccc4C(F)(F)F)nc23)ccc1-n1cnc(C)c1
InChIInChI=1S/C26H22F3N5O/c1-16-14-33(15-30-16)22-11-10-18(13-23(22)35-3)31-21-9-6-12-34-17(2)24(32-25(21)34)19-7-4-5-8-20(19)26(27,28)29/h4-15,31H,1-3H3
InChIKeySLWLCVIREPCKSX-UHFFFAOYSA-N
XLogP6.57
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.49
LogP ≤ 56.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The IUPAC name of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine (CID 67415529) is N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine.
What is the SMILES notation for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The canonical SMILES for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine is COc1cc(Nc2cccn3c(C)c(-c4ccccc4C(F)(F)F)nc23)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine?
The InChIKey is SLWLCVIREPCKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O/c1-16-14-33(15-30-16)22-11-10-18(13-23(22)35-3)31-21-9-6-12-34-17(2)24(32-25(21)34)19-7-4-5-8-20(19)26(27,28)29/h4-15,31H,1-3H3.
What are the key properties of N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine?
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine has a molecular weight of 477.49 g/mol, XLogP of 6.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-3-methyl-2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-amine is sourced from PubChem (CID 67415529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).