4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

C24H20F3N5O3S — CID 172783531

IUPAC4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCCS(=O)(=O)c1cnc2cc(Nc3ccc(C(F)(F)F)cc3)c(-c3cn(C)c(=O)c4[nH]ccc34)cn12
InChIInChI=1S/C24H20F3N5O3S/c1-3-36(34,35)21-11-29-20-10-19(30-15-6-4-14(5-7-15)24(25,26)27)18(13-32(20)21)17-12-31(2)23(33)22-16(17)8-9-28-22/h4-13,28,30H,3H2,1-2H3
InChIKeyOOTPSXKMEHSBCG-UHFFFAOYSA-N
MW515.52 g/mol
LogP4.74
Rot. Bonds5

About 4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one

4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 172783531) has the molecular formula C24H20F3N5O3S and a molecular weight of 515.52 g/mol. Its IUPAC name is 4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID172783531
Molecular FormulaC24H20F3N5O3S
Molecular Weight515.52 g/mol
Exact Mass515.12
IUPAC Name4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCCS(=O)(=O)c1cnc2cc(Nc3ccc(C(F)(F)F)cc3)c(-c3cn(C)c(=O)c4[nH]ccc34)cn12
InChIInChI=1S/C24H20F3N5O3S/c1-3-36(34,35)21-11-29-20-10-19(30-15-6-4-14(5-7-15)24(25,26)27)18(13-32(20)21)17-12-31(2)23(33)22-16(17)8-9-28-22/h4-13,28,30H,3H2,1-2H3
InChIKeyOOTPSXKMEHSBCG-UHFFFAOYSA-N
XLogP4.74
TPSA101.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.52
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 172783531) is 4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is CCS(=O)(=O)c1cnc2cc(Nc3ccc(C(F)(F)F)cc3)c(-c3cn(C)c(=O)c4[nH]ccc34)cn12.
What is the InChIKey of 4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is OOTPSXKMEHSBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3S/c1-3-36(34,35)21-11-29-20-10-19(30-15-6-4-14(5-7-15)24(25,26)27)18(13-32(20)21)17-12-31(2)23(33)22-16(17)8-9-28-22/h4-13,28,30H,3H2,1-2H3.
What are the key properties of 4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 515.52 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-ethylsulfonyl-7-[4-(trifluoromethyl)anilino]imidazo[1,2-a]pyridin-6-yl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 172783531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).