N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide

C23H24F3N5O2 — CID 67388254

IUPACN-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)CCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F
InChIInChI=1S/C23H24F3N5O2/c1-4-21(32)31(5-2)9-6-10-33-20-8-7-15(11-16(20)23(24,25)26)17-12-19-22(18(13-27)29-17)28-14-30(19)3/h7-8,11-12,14H,4-6,9-10H2,1-3H3
InChIKeyNBNNZLHIBQXMEI-UHFFFAOYSA-N
MW459.47 g/mol
LogP4.55
Rot. Bonds8

About N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide

N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide (PubChem CID 67388254) has the molecular formula C23H24F3N5O2 and a molecular weight of 459.47 g/mol. Its IUPAC name is N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide
PubChem CID67388254
Molecular FormulaC23H24F3N5O2
Molecular Weight459.47 g/mol
Exact Mass459.19
IUPAC NameN-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide
SMILESCCC(=O)N(CC)CCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F
InChIInChI=1S/C23H24F3N5O2/c1-4-21(32)31(5-2)9-6-10-33-20-8-7-15(11-16(20)23(24,25)26)17-12-19-22(18(13-27)29-17)28-14-30(19)3/h7-8,11-12,14H,4-6,9-10H2,1-3H3
InChIKeyNBNNZLHIBQXMEI-UHFFFAOYSA-N
XLogP4.55
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.47
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide?
The IUPAC name of N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide (CID 67388254) is N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide.
What is the SMILES notation for N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide?
The canonical SMILES for N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide is CCC(=O)N(CC)CCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F.
What is the InChIKey of N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide?
The InChIKey is NBNNZLHIBQXMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2/c1-4-21(32)31(5-2)9-6-10-33-20-8-7-15(11-16(20)23(24,25)26)17-12-19-22(18(13-27)29-17)28-14-30(19)3/h7-8,11-12,14H,4-6,9-10H2,1-3H3.
What are the key properties of N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide?
N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide has a molecular weight of 459.47 g/mol, XLogP of 4.55, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]propyl]-N-ethylpropanamide is sourced from PubChem (CID 67388254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).