N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C19H11Cl2F3N6O — CID 59515629

IUPACN-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1cnc(Cl)c(-c2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C19H11Cl2F3N6O/c1-8-11(2-3-14(27-8)19(22,23)24)18(31)28-10-5-12(15(21)25-7-10)16-29-13-4-9(20)6-26-17(13)30-16/h2-7H,1H3,(H,28,31)(H,26,29,30)
InChIKeyQGEKDBCBDGRBBJ-UHFFFAOYSA-N
MW467.24 g/mol
LogP5.30
Rot. Bonds3

About N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 59515629) has the molecular formula C19H11Cl2F3N6O and a molecular weight of 467.24 g/mol. Its IUPAC name is N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID59515629
Molecular FormulaC19H11Cl2F3N6O
Molecular Weight467.24 g/mol
Exact Mass466.03
IUPAC NameN-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(C(F)(F)F)ccc1C(=O)Nc1cnc(Cl)c(-c2nc3ncc(Cl)cc3[nH]2)c1
InChIInChI=1S/C19H11Cl2F3N6O/c1-8-11(2-3-14(27-8)19(22,23)24)18(31)28-10-5-12(15(21)25-7-10)16-29-13-4-9(20)6-26-17(13)30-16/h2-7H,1H3,(H,28,31)(H,26,29,30)
InChIKeyQGEKDBCBDGRBBJ-UHFFFAOYSA-N
XLogP5.30
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.24
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 59515629) is N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(C(F)(F)F)ccc1C(=O)Nc1cnc(Cl)c(-c2nc3ncc(Cl)cc3[nH]2)c1.
What is the InChIKey of N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is QGEKDBCBDGRBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2F3N6O/c1-8-11(2-3-14(27-8)19(22,23)24)18(31)28-10-5-12(15(21)25-7-10)16-29-13-4-9(20)6-26-17(13)30-16/h2-7H,1H3,(H,28,31)(H,26,29,30).
What are the key properties of N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 467.24 g/mol, XLogP of 5.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-3-pyridinyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59515629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).