5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

C18H16ClF2N5O2 — CID 138472084

IUPAC5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESO=c1[nH]ncc(N2CCc3c(c(=O)[nH]n3Cc3ccccc3C(F)F)C2)c1Cl
InChIInChI=1S/C18H16ClF2N5O2/c19-15-14(7-22-23-18(15)28)25-6-5-13-12(9-25)17(27)24-26(13)8-10-3-1-2-4-11(10)16(20)21/h1-4,7,16H,5-6,8-9H2,(H,23,28)(H,24,27)
InChIKeyHPWZOWGTPVWTSI-UHFFFAOYSA-N
MW407.81 g/mol
LogP2.46
Rot. Bonds4

About 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 138472084) has the molecular formula C18H16ClF2N5O2 and a molecular weight of 407.81 g/mol. Its IUPAC name is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID138472084
Molecular FormulaC18H16ClF2N5O2
Molecular Weight407.81 g/mol
Exact Mass407.10
IUPAC Name5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESO=c1[nH]ncc(N2CCc3c(c(=O)[nH]n3Cc3ccccc3C(F)F)C2)c1Cl
InChIInChI=1S/C18H16ClF2N5O2/c19-15-14(7-22-23-18(15)28)25-6-5-13-12(9-25)17(27)24-26(13)8-10-3-1-2-4-11(10)16(20)21/h1-4,7,16H,5-6,8-9H2,(H,23,28)(H,24,27)
InChIKeyHPWZOWGTPVWTSI-UHFFFAOYSA-N
XLogP2.46
TPSA86.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.81
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one with MolForge

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Related Compounds

4-Chloro-5-(3-oxo-4-(2-(trifluoromethyl)benzyl)piperazin-1-yl)pyridazin-3(2H)-one
CID 138471783
5-chloro-4-[4-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483818
1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-3-carboxamide
CID 168273740
2-[1-(5-chloro-6-oxo-1H-pyridazin-4-yl)azetidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]acetamide
CID 168283908
1-(5-chloro-6-oxo-1H-pyridazin-4-yl)-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-3-carboxamide
CID 168295945
5-chloro-4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 17461014
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[(1S)-1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471524
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[1-[2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471528
5-[5-Chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[1-[4-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471564
5-chloro-4-[4-[(1R)-3,3,3-trifluoro-1-phenylpropyl]piperazin-1-yl]-1H-pyridazin-6-one
CID 138471565
5-chloro-4-[4-(3,3,3-trifluoro-1-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one
CID 138471566
5-[5-Chloro-1-(oxan-2-yl)-6-oxopyridazin-4-yl]-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 138471646

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 138472084) is 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is O=c1[nH]ncc(N2CCc3c(c(=O)[nH]n3Cc3ccccc3C(F)F)C2)c1Cl.
What is the InChIKey of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is HPWZOWGTPVWTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N5O2/c19-15-14(7-22-23-18(15)28)25-6-5-13-12(9-25)17(27)24-26(13)8-10-3-1-2-4-11(10)16(20)21/h1-4,7,16H,5-6,8-9H2,(H,23,28)(H,24,27).
What are the key properties of 5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
5-(5-chloro-6-oxo-1H-pyridazin-4-yl)-1-[[2-(difluoromethyl)phenyl]methyl]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 407.81 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 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]-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 138472084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).