N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide

C21H22F3N5O6S2 — CID 137357354

IUPACN-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide
SMILESCCn1c(C(F)(F)F)cc2nc(-c3ncc(C(=O)NS(=O)(=O)C4CC4)cc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C21H22F3N5O6S2/c1-4-29-15(21(22,23)24)9-13-17(20(29)31)28(3)18(26-13)16-14(36(32,33)5-2)8-11(10-25-16)19(30)27-37(34,35)12-6-7-12/h8-10,12H,4-7H2,1-3H3,(H,27,30)
InChIKeyGINNKXUHWNYGPY-UHFFFAOYSA-N
MW561.56 g/mol
LogP1.85
Rot. Bonds7

About N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide

N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide (PubChem CID 137357354) has the molecular formula C21H22F3N5O6S2 and a molecular weight of 561.56 g/mol. Its IUPAC name is N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide
PubChem CID137357354
Molecular FormulaC21H22F3N5O6S2
Molecular Weight561.56 g/mol
Exact Mass561.10
IUPAC NameN-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide
SMILESCCn1c(C(F)(F)F)cc2nc(-c3ncc(C(=O)NS(=O)(=O)C4CC4)cc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C21H22F3N5O6S2/c1-4-29-15(21(22,23)24)9-13-17(20(29)31)28(3)18(26-13)16-14(36(32,33)5-2)8-11(10-25-16)19(30)27-37(34,35)12-6-7-12/h8-10,12H,4-7H2,1-3H3,(H,27,30)
InChIKeyGINNKXUHWNYGPY-UHFFFAOYSA-N
XLogP1.85
TPSA150.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500561.56
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide?
The IUPAC name of N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide (CID 137357354) is N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide?
The canonical SMILES for N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide is CCn1c(C(F)(F)F)cc2nc(-c3ncc(C(=O)NS(=O)(=O)C4CC4)cc3S(=O)(=O)CC)n(C)c2c1=O.
What is the InChIKey of N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide?
The InChIKey is GINNKXUHWNYGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O6S2/c1-4-29-15(21(22,23)24)9-13-17(20(29)31)28(3)18(26-13)16-14(36(32,33)5-2)8-11(10-25-16)19(30)27-37(34,35)12-6-7-12/h8-10,12H,4-7H2,1-3H3,(H,27,30).
What are the key properties of N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide?
N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide has a molecular weight of 561.56 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropylsulfonyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 137357354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).