3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide

C32H24F3N7O2 — CID 67891253

IUPAC3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1-c1cnc2c(Nc3cccc(C(N)=O)c3)cccn12
InChIInChI=1S/C32H24F3N7O2/c1-19-7-8-21(31(44)40-24-14-22(32(33,34)35)15-25(16-24)41-11-9-37-18-41)13-26(19)28-17-38-30-27(6-3-10-42(28)30)39-23-5-2-4-20(12-23)29(36)43/h2-18,39H,1H3,(H2,36,43)(H,40,44)
InChIKeyVFOKHNLGWDYUAZ-UHFFFAOYSA-N
MW595.59 g/mol
LogP6.61
Rot. Bonds7

About 3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide

3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide (PubChem CID 67891253) has the molecular formula C32H24F3N7O2 and a molecular weight of 595.59 g/mol. Its IUPAC name is 3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide
PubChem CID67891253
Molecular FormulaC32H24F3N7O2
Molecular Weight595.59 g/mol
Exact Mass595.19
IUPAC Name3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1-c1cnc2c(Nc3cccc(C(N)=O)c3)cccn12
InChIInChI=1S/C32H24F3N7O2/c1-19-7-8-21(31(44)40-24-14-22(32(33,34)35)15-25(16-24)41-11-9-37-18-41)13-26(19)28-17-38-30-27(6-3-10-42(28)30)39-23-5-2-4-20(12-23)29(36)43/h2-18,39H,1H3,(H2,36,43)(H,40,44)
InChIKeyVFOKHNLGWDYUAZ-UHFFFAOYSA-N
XLogP6.61
TPSA119.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.59
LogP ≤ 56.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide (CID 67891253) is 3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(-n3ccnc3)cc(C(F)(F)F)c2)cc1-c1cnc2c(Nc3cccc(C(N)=O)c3)cccn12.
What is the InChIKey of 3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
The InChIKey is VFOKHNLGWDYUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24F3N7O2/c1-19-7-8-21(31(44)40-24-14-22(32(33,34)35)15-25(16-24)41-11-9-37-18-41)13-26(19)28-17-38-30-27(6-3-10-42(28)30)39-23-5-2-4-20(12-23)29(36)43/h2-18,39H,1H3,(H2,36,43)(H,40,44).
What are the key properties of 3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide?
3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide has a molecular weight of 595.59 g/mol, XLogP of 6.61, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(3-carbamoylanilino)imidazo[1,2-a]pyridin-3-yl]-N-[3-imidazol-1-yl-5-(trifluoromethyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 67891253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).