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

C24H25F3N6O2 — CID 46842671

IUPACN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide
SMILESCN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)C1CCCN1C
InChIInChI=1S/C24H25F3N6O2/c1-31-8-4-5-19(31)23(34)32(2)9-10-35-21-7-6-15(11-16(21)24(25,26)27)17-12-20-22(18(13-28)30-17)29-14-33(20)3/h6-7,11-12,14,19H,4-5,8-10H2,1-3H3
InChIKeyNZHYQUXRPHBFKR-UHFFFAOYSA-N
MW486.50 g/mol
LogP3.46
Rot. Bonds6

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

N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide (PubChem CID 46842671) has the molecular formula C24H25F3N6O2 and a molecular weight of 486.50 g/mol. Its IUPAC name is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide
PubChem CID46842671
Molecular FormulaC24H25F3N6O2
Molecular Weight486.50 g/mol
Exact Mass486.20
IUPAC NameN-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide
SMILESCN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)C1CCCN1C
InChIInChI=1S/C24H25F3N6O2/c1-31-8-4-5-19(31)23(34)32(2)9-10-35-21-7-6-15(11-16(21)24(25,26)27)17-12-20-22(18(13-28)30-17)29-14-33(20)3/h6-7,11-12,14,19H,4-5,8-10H2,1-3H3
InChIKeyNZHYQUXRPHBFKR-UHFFFAOYSA-N
XLogP3.46
TPSA87.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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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,1-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide (CID 46842671) is N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide is CN(CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F)C(=O)C1CCCN1C.
What is the InChIKey of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide?
The InChIKey is NZHYQUXRPHBFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O2/c1-31-8-4-5-19(31)23(34)32(2)9-10-35-21-7-6-15(11-16(21)24(25,26)27)17-12-20-22(18(13-28)30-17)29-14-33(20)3/h6-7,11-12,14,19H,4-5,8-10H2,1-3H3.
What are the key properties of N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide?
N-[2-[4-(4-cyano-1-methylimidazo[4,5-c]pyridin-6-yl)-2-(trifluoromethyl)phenoxy]ethyl]-N,1-dimethylpyrrolidine-2-carboxamide has a molecular weight of 486.50 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 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,1-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 46842671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).