5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

C19H16ClF3N6O2 — CID 138471875

IUPAC5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESNC(=O)c1nc2c(n1Cc1ccccc1C(F)(F)F)CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H16ClF3N6O2/c20-15-14(7-25-27-18(15)31)28-6-5-13-12(9-28)26-17(16(24)30)29(13)8-10-3-1-2-4-11(10)19(21,22)23/h1-4,7H,5-6,8-9H2,(H2,24,30)(H,27,31)
InChIKeyNOUBARKIWRAJJX-UHFFFAOYSA-N
MW452.82 g/mol
LogP2.35
Rot. Bonds4

About 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide

5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 138471875) has the molecular formula C19H16ClF3N6O2 and a molecular weight of 452.82 g/mol. Its IUPAC name is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID138471875
Molecular FormulaC19H16ClF3N6O2
Molecular Weight452.82 g/mol
Exact Mass452.10
IUPAC Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESNC(=O)c1nc2c(n1Cc1ccccc1C(F)(F)F)CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H16ClF3N6O2/c20-15-14(7-25-27-18(15)31)28-6-5-13-12(9-28)26-17(16(24)30)29(13)8-10-3-1-2-4-11(10)19(21,22)23/h1-4,7H,5-6,8-9H2,(H2,24,30)(H,27,31)
InChIKeyNOUBARKIWRAJJX-UHFFFAOYSA-N
XLogP2.35
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.82
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The IUPAC name of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 138471875) is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide.
What is the SMILES notation for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The canonical SMILES for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is NC(=O)c1nc2c(n1Cc1ccccc1C(F)(F)F)CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is NOUBARKIWRAJJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClF3N6O2/c20-15-14(7-25-27-18(15)31)28-6-5-13-12(9-28)26-17(16(24)30)29(13)8-10-3-1-2-4-11(10)19(21,22)23/h1-4,7H,5-6,8-9H2,(H2,24,30)(H,27,31).
What are the key properties of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 452.82 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 138471875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).