N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide

C23H22F3N5O2 — CID 59410682

IUPACN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide
SMILESCCC(=O)N(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C23H22F3N5O2/c1-3-21(32)31(15-5-6-15)8-9-33-20-7-4-14(10-16(20)23(24,25)26)17-11-19-22(18(12-27)29-17)28-13-30(19)2/h4,7,10-11,13,15H,3,5-6,8-9H2,1-2H3
InChIKeyFKXVKKIWLXUUOG-UHFFFAOYSA-N
MW457.46 g/mol
LogP4.31
Rot. Bonds7

About N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide

N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide (PubChem CID 59410682) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide.

Molecular Properties

Compound NameN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide
PubChem CID59410682
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC NameN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide
SMILESCCC(=O)N(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C23H22F3N5O2/c1-3-21(32)31(15-5-6-15)8-9-33-20-7-4-14(10-16(20)23(24,25)26)17-11-19-22(18(12-27)29-17)28-13-30(19)2/h4,7,10-11,13,15H,3,5-6,8-9H2,1-2H3
InChIKeyFKXVKKIWLXUUOG-UHFFFAOYSA-N
XLogP4.31
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide?
The IUPAC name of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide (CID 59410682) is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide.
What is the SMILES notation for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide?
The canonical SMILES for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide is CCC(=O)N(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C1CC1.
What is the InChIKey of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide?
The InChIKey is FKXVKKIWLXUUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c1-3-21(32)31(15-5-6-15)8-9-33-20-7-4-14(10-16(20)23(24,25)26)17-11-19-22(18(12-27)29-17)28-13-30(19)2/h4,7,10-11,13,15H,3,5-6,8-9H2,1-2H3.
What are the key properties of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide?
N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide has a molecular weight of 457.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylpropanamide is sourced from PubChem (CID 59410682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).