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

C21H22F3N5O4S — CID 135333532

IUPACN-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide
SMILESCCn1c(C(F)(F)F)cc2nc(-c3nc(C(=O)NC4CC4)ccc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C21H22F3N5O4S/c1-4-29-15(21(22,23)24)10-13-17(20(29)31)28(3)18(27-13)16-14(34(32,33)5-2)9-8-12(26-16)19(30)25-11-6-7-11/h8-11H,4-7H2,1-3H3,(H,25,30)
InChIKeyGATVEZZIXJXASW-UHFFFAOYSA-N
MW497.50 g/mol
LogP2.52
Rot. Bonds6

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

N-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide (PubChem CID 135333532) has the molecular formula C21H22F3N5O4S and a molecular weight of 497.50 g/mol. Its IUPAC name is N-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide
PubChem CID135333532
Molecular FormulaC21H22F3N5O4S
Molecular Weight497.50 g/mol
Exact Mass497.13
IUPAC NameN-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide
SMILESCCn1c(C(F)(F)F)cc2nc(-c3nc(C(=O)NC4CC4)ccc3S(=O)(=O)CC)n(C)c2c1=O
InChIInChI=1S/C21H22F3N5O4S/c1-4-29-15(21(22,23)24)10-13-17(20(29)31)28(3)18(27-13)16-14(34(32,33)5-2)9-8-12(26-16)19(30)25-11-6-7-11/h8-11H,4-7H2,1-3H3,(H,25,30)
InChIKeyGATVEZZIXJXASW-UHFFFAOYSA-N
XLogP2.52
TPSA115.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.50
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide?
The IUPAC name of N-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide (CID 135333532) is N-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide is CCn1c(C(F)(F)F)cc2nc(-c3nc(C(=O)NC4CC4)ccc3S(=O)(=O)CC)n(C)c2c1=O.
What is the InChIKey of N-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide?
The InChIKey is GATVEZZIXJXASW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N5O4S/c1-4-29-15(21(22,23)24)10-13-17(20(29)31)28(3)18(27-13)16-14(34(32,33)5-2)9-8-12(26-16)19(30)25-11-6-7-11/h8-11H,4-7H2,1-3H3,(H,25,30).
What are the key properties of N-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide?
N-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide has a molecular weight of 497.50 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[5-ethyl-3-methyl-4-oxo-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-ethylsulfonylpyridine-2-carboxamide is sourced from PubChem (CID 135333532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).