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

C22H20F3N5O2 — CID 59410635

IUPACN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide
SMILESCC(=O)N(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C22H20F3N5O2/c1-13(31)30(15-4-5-15)7-8-32-20-6-3-14(9-16(20)22(23,24)25)17-10-19-21(18(11-26)28-17)27-12-29(19)2/h3,6,9-10,12,15H,4-5,7-8H2,1-2H3
InChIKeyRZHDENYQTVQQKO-UHFFFAOYSA-N
MW443.43 g/mol
LogP3.92
Rot. Bonds6

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

N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide (PubChem CID 59410635) has the molecular formula C22H20F3N5O2 and a molecular weight of 443.43 g/mol. Its IUPAC name is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide.

Molecular Properties

Compound NameN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide
PubChem CID59410635
Molecular FormulaC22H20F3N5O2
Molecular Weight443.43 g/mol
Exact Mass443.16
IUPAC NameN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide
SMILESCC(=O)N(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C1CC1
InChIInChI=1S/C22H20F3N5O2/c1-13(31)30(15-4-5-15)7-8-32-20-6-3-14(9-16(20)22(23,24)25)17-10-19-21(18(11-26)28-17)27-12-29(19)2/h3,6,9-10,12,15H,4-5,7-8H2,1-2H3
InChIKeyRZHDENYQTVQQKO-UHFFFAOYSA-N
XLogP3.92
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.43
LogP ≤ 53.92
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-cyclopropylacetamide?
The IUPAC name of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide (CID 59410635) is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide.
What is the SMILES notation for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide?
The canonical SMILES for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide is CC(=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-cyclopropylacetamide?
The InChIKey is RZHDENYQTVQQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5O2/c1-13(31)30(15-4-5-15)7-8-32-20-6-3-14(9-16(20)22(23,24)25)17-10-19-21(18(11-26)28-17)27-12-29(19)2/h3,6,9-10,12,15H,4-5,7-8H2,1-2H3.
What are the key properties of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide?
N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N-cyclopropylacetamide has a molecular weight of 443.43 g/mol, XLogP of 3.92, 6 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-cyclopropylacetamide is sourced from PubChem (CID 59410635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).