N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C22H18ClF3N6O — CID 11648562

IUPACN-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(N(C)C)ncc3[nH]2)c1
InChIInChI=1S/C22H18ClF3N6O/c1-11-13(5-7-18(28-11)22(24,25)26)21(33)29-12-4-6-15(23)14(8-12)20-30-16-9-19(32(2)3)27-10-17(16)31-20/h4-10H,1-3H3,(H,29,33)(H,30,31)
InChIKeyUBKADCRDDXIUCG-UHFFFAOYSA-N
MW474.87 g/mol
LogP5.32
Rot. Bonds4

About N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 11648562) has the molecular formula C22H18ClF3N6O and a molecular weight of 474.87 g/mol. Its IUPAC name is N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID11648562
Molecular FormulaC22H18ClF3N6O
Molecular Weight474.87 g/mol
Exact Mass474.12
IUPAC NameN-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(N(C)C)ncc3[nH]2)c1
InChIInChI=1S/C22H18ClF3N6O/c1-11-13(5-7-18(28-11)22(24,25)26)21(33)29-12-4-6-15(23)14(8-12)20-30-16-9-19(32(2)3)27-10-17(16)31-20/h4-10H,1-3H3,(H,29,33)(H,30,31)
InChIKeyUBKADCRDDXIUCG-UHFFFAOYSA-N
XLogP5.32
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.87
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 11648562) is N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(N(C)C)ncc3[nH]2)c1.
What is the InChIKey of N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is UBKADCRDDXIUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClF3N6O/c1-11-13(5-7-18(28-11)22(24,25)26)21(33)29-12-4-6-15(23)14(8-12)20-30-16-9-19(32(2)3)27-10-17(16)31-20/h4-10H,1-3H3,(H,29,33)(H,30,31).
What are the key properties of N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 474.87 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[6-(dimethylamino)-3H-imidazo[4,5-c]pyridin-2-yl]phenyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 11648562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).