N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide

C19H17F3N6O3S — CID 129028388

IUPACN-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(C)=O)ccn12
InChIInChI=1S/C19H17F3N6O3S/c1-4-32(30,31)18-15(26-14-8-12(24-10(2)29)5-6-28(14)18)17-25-13-7-11(19(20,21)22)9-23-16(13)27(17)3/h5-9H,4H2,1-3H3,(H,24,29)
InChIKeySWBFCSLNJKZMKP-UHFFFAOYSA-N
MW466.45 g/mol
LogP3.05
Rot. Bonds4

About N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide

N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide (PubChem CID 129028388) has the molecular formula C19H17F3N6O3S and a molecular weight of 466.45 g/mol. Its IUPAC name is N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide
PubChem CID129028388
Molecular FormulaC19H17F3N6O3S
Molecular Weight466.45 g/mol
Exact Mass466.10
IUPAC NameN-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide
SMILESCCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(C)=O)ccn12
InChIInChI=1S/C19H17F3N6O3S/c1-4-32(30,31)18-15(26-14-8-12(24-10(2)29)5-6-28(14)18)17-25-13-7-11(19(20,21)22)9-23-16(13)27(17)3/h5-9H,4H2,1-3H3,(H,24,29)
InChIKeySWBFCSLNJKZMKP-UHFFFAOYSA-N
XLogP3.05
TPSA111.25 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.45
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide?
The IUPAC name of N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide (CID 129028388) is N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide.
What is the SMILES notation for N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide?
The canonical SMILES for N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide is CCS(=O)(=O)c1c(-c2nc3cc(C(F)(F)F)cnc3n2C)nc2cc(NC(C)=O)ccn12.
What is the InChIKey of N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide?
The InChIKey is SWBFCSLNJKZMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N6O3S/c1-4-32(30,31)18-15(26-14-8-12(24-10(2)29)5-6-28(14)18)17-25-13-7-11(19(20,21)22)9-23-16(13)27(17)3/h5-9H,4H2,1-3H3,(H,24,29).
What are the key properties of N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide?
N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide has a molecular weight of 466.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-ethylsulfonyl-2-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]imidazo[1,2-a]pyridin-7-yl]acetamide is sourced from PubChem (CID 129028388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).