N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide

C19H20F3N5O4S — CID 142621003

IUPACN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide
SMILESCCS(=O)(=O)c1cc(NC(=O)C(C)(C)O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H20F3N5O4S/c1-5-32(30,31)13-6-10(25-17(28)18(2,3)29)8-24-15(13)16-26-11-7-14(19(20,21)22)23-9-12(11)27(16)4/h6-9,29H,5H2,1-4H3,(H,25,28)
InChIKeyLBEAPTCCVIXCDC-UHFFFAOYSA-N
MW471.46 g/mol
LogP2.55
Rot. Bonds5

About N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide

N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide (PubChem CID 142621003) has the molecular formula C19H20F3N5O4S and a molecular weight of 471.46 g/mol. Its IUPAC name is N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide
PubChem CID142621003
Molecular FormulaC19H20F3N5O4S
Molecular Weight471.46 g/mol
Exact Mass471.12
IUPAC NameN-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide
SMILESCCS(=O)(=O)c1cc(NC(=O)C(C)(C)O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C
InChIInChI=1S/C19H20F3N5O4S/c1-5-32(30,31)13-6-10(25-17(28)18(2,3)29)8-24-15(13)16-26-11-7-14(19(20,21)22)23-9-12(11)27(16)4/h6-9,29H,5H2,1-4H3,(H,25,28)
InChIKeyLBEAPTCCVIXCDC-UHFFFAOYSA-N
XLogP2.55
TPSA127.07 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.46
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide?
The IUPAC name of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide (CID 142621003) is N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide.
What is the SMILES notation for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide?
The canonical SMILES for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide is CCS(=O)(=O)c1cc(NC(=O)C(C)(C)O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C.
What is the InChIKey of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide?
The InChIKey is LBEAPTCCVIXCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O4S/c1-5-32(30,31)13-6-10(25-17(28)18(2,3)29)8-24-15(13)16-26-11-7-14(19(20,21)22)23-9-12(11)27(16)4/h6-9,29H,5H2,1-4H3,(H,25,28).
What are the key properties of N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide?
N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide has a molecular weight of 471.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethylsulfonyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-3-pyridinyl]-2-hydroxy-2-methylpropanamide is sourced from PubChem (CID 142621003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).