5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide

C22H22ClF2N5O2 — CID 168818698

IUPAC5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(Cc2ccccc2C(F)F)c2c1CN(c1cn[nH]c(=O)c1Cl)CC2
InChIInChI=1S/C22H22ClF2N5O2/c1-28(2)22(32)16-12-30(10-13-5-3-4-6-14(13)20(24)25)17-7-8-29(11-15(16)17)18-9-26-27-21(31)19(18)23/h3-6,9,12,20H,7-8,10-11H2,1-2H3,(H,27,31)
InChIKeyYDWLYNWCEATHKF-UHFFFAOYSA-N
MW461.90 g/mol
LogP3.48
Rot. Bonds5

About 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide

5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 168818698) has the molecular formula C22H22ClF2N5O2 and a molecular weight of 461.90 g/mol. Its IUPAC name is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID168818698
Molecular FormulaC22H22ClF2N5O2
Molecular Weight461.90 g/mol
Exact Mass461.14
IUPAC Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1cn(Cc2ccccc2C(F)F)c2c1CN(c1cn[nH]c(=O)c1Cl)CC2
InChIInChI=1S/C22H22ClF2N5O2/c1-28(2)22(32)16-12-30(10-13-5-3-4-6-14(13)20(24)25)17-7-8-29(11-15(16)17)18-9-26-27-21(31)19(18)23/h3-6,9,12,20H,7-8,10-11H2,1-2H3,(H,27,31)
InChIKeyYDWLYNWCEATHKF-UHFFFAOYSA-N
XLogP3.48
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.90
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide (CID 168818698) is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide is CN(C)C(=O)c1cn(Cc2ccccc2C(F)F)c2c1CN(c1cn[nH]c(=O)c1Cl)CC2.
What is the InChIKey of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is YDWLYNWCEATHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClF2N5O2/c1-28(2)22(32)16-12-30(10-13-5-3-4-6-14(13)20(24)25)17-7-8-29(11-15(16)17)18-9-26-27-21(31)19(18)23/h3-6,9,12,20H,7-8,10-11H2,1-2H3,(H,27,31).
What are the key properties of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide?
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 461.90 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 168818698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).