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

C19H19ClN6O2 — CID 165047434

IUPAC5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCc1ccccc1Cn1c(C(N)=O)nc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H19ClN6O2/c1-11-4-2-3-5-12(11)9-26-14-6-7-25(10-13(14)23-18(26)17(21)27)15-8-22-24-19(28)16(15)20/h2-5,8H,6-7,9-10H2,1H3,(H2,21,27)(H,24,28)
InChIKeyCPNPEUXVZSJXGV-UHFFFAOYSA-N
MW398.85 g/mol
LogP1.64
Rot. Bonds4

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

5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (PubChem CID 165047434) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(2-methylphenyl)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-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
PubChem CID165047434
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide
SMILESCc1ccccc1Cn1c(C(N)=O)nc2c1CCN(c1cn[nH]c(=O)c1Cl)C2
InChIInChI=1S/C19H19ClN6O2/c1-11-4-2-3-5-12(11)9-26-14-6-7-25(10-13(14)23-18(26)17(21)27)15-8-22-24-19(28)16(15)20/h2-5,8H,6-7,9-10H2,1H3,(H2,21,27)(H,24,28)
InChIKeyCPNPEUXVZSJXGV-UHFFFAOYSA-N
XLogP1.64
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-4-[1-[[2-(methoxymethyl)phenyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 168818874
5-chloro-4-[1-[(2,6-dimethylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one;ethane
CID 142546803
5-chloro-4-[1-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 138483892
5-chloro-4-[1-[[2-(methoxymethyl)-3-pyridinyl]methyl]-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-1H-pyridazin-6-one
CID 168818831
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 168818836
5-chloro-4-(1-ethyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-1H-pyridazin-6-one
CID 163651326
5-chloro-4-[4-ethoxy-4-[(2-methylphenyl)methyl]piperidin-1-yl]-1H-pyridazin-6-one
CID 138484377
5-chloro-4-[4-[(1S)-1-(2-methylphenyl)ethyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138484033
5-bromo-4-[4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 138471822
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-[fluoro(iodo)methyl]phenyl]methyl]-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-one
CID 138484294
4-[3-[(1S)-1-amino-2,2,2-trifluoroethyl]-1-[[2-(trifluoromethyl)phenyl]methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-5-chloro-1H-pyridazin-6-one
CID 138471777
5-chloro-4-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]-1H-pyridazin-6-one
CID 51103947

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(2-methylphenyl)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-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide (CID 165047434) is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(2-methylphenyl)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-methylphenyl)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-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is Cc1ccccc1Cn1c(C(N)=O)nc2c1CCN(c1cn[nH]c(=O)c1Cl)C2.
What is the InChIKey of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
The InChIKey is CPNPEUXVZSJXGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-11-4-2-3-5-12(11)9-26-14-6-7-25(10-13(14)23-18(26)17(21)27)15-8-22-24-19(28)16(15)20/h2-5,8H,6-7,9-10H2,1H3,(H2,21,27)(H,24,28).
What are the key properties of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide?
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(2-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 1.64, 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-methylphenyl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine-2-carboxamide is sourced from PubChem (CID 165047434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).