5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide

C20H15F2N5O2 — CID 175792101

IUPAC5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide
SMILESCN1Cc2cc(Nc3c(-c4c(F)cccc4F)cnnc3C(N)=O)ccc2C1=O
InChIInChI=1S/C20H15F2N5O2/c1-27-9-10-7-11(5-6-12(10)20(27)29)25-17-13(8-24-26-18(17)19(23)28)16-14(21)3-2-4-15(16)22/h2-8H,9H2,1H3,(H2,23,28)(H,24,25)
InChIKeyNMTLPHUOTQGQMI-UHFFFAOYSA-N
MW395.37 g/mol
LogP2.85
Rot. Bonds4

About 5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide

5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide (PubChem CID 175792101) has the molecular formula C20H15F2N5O2 and a molecular weight of 395.37 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide
PubChem CID175792101
Molecular FormulaC20H15F2N5O2
Molecular Weight395.37 g/mol
Exact Mass395.12
IUPAC Name5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide
SMILESCN1Cc2cc(Nc3c(-c4c(F)cccc4F)cnnc3C(N)=O)ccc2C1=O
InChIInChI=1S/C20H15F2N5O2/c1-27-9-10-7-11(5-6-12(10)20(27)29)25-17-13(8-24-26-18(17)19(23)28)16-14(21)3-2-4-15(16)22/h2-8H,9H2,1H3,(H2,23,28)(H,24,25)
InChIKeyNMTLPHUOTQGQMI-UHFFFAOYSA-N
XLogP2.85
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-difluorophenyl)-4-(2,3-dihydro-1H-indol-5-ylamino)pyridazine-3-carboxamide
CID 175792069
5-(3,5-dimethylanilino)-2-methyl-3H-isoindol-1-one
CID 167299989
5-[3-(dimethylamino)anilino]-2-methyl-3H-isoindol-1-one
CID 167300153
5-(tert-butylamino)-2-methyl-3H-isoindol-1-one
CID 155362630
6-(2,6-difluorophenyl)-4-[4-(4-methyl-2-oxopiperazin-1-yl)anilino]pyridazine-3-carboxamide
CID 163811469
4-[(10-fluoro-5-methyl-6H-phenanthridin-4-yl)amino]-N-(trideuteriomethyl)pyridazine-3-carboxamide
CID 175963350
7-[[5-fluoro-4-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-2-yl]amino]-2-methyl-4,5-dihydro-3H-2-benzazepin-1-one
CID 121375451
2-methyl-5-(4-methylphenyl)-3H-isoindol-1-one
CID 123197449
2,5-dimethylisoindole-1,3-dione;2,5-dimethyl-3H-isoindol-1-one
CID 142859605
1-fluoro-3-hydroxy-6,9-dimethyl-5H-benzo[d][2]benzazepin-7-one
CID 167537104
ethanol;ethyl 4-amino-2-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-6-yl)amino]pyrimidine-5-carboxylate
CID 167516983
2-methyl-5-[1-(methylamino)ethyl]-3H-isoindol-1-one
CID 84721920

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of 5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide (CID 175792101) is 5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for 5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for 5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide is CN1Cc2cc(Nc3c(-c4c(F)cccc4F)cnnc3C(N)=O)ccc2C1=O.
What is the InChIKey of 5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide?
The InChIKey is NMTLPHUOTQGQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N5O2/c1-27-9-10-7-11(5-6-12(10)20(27)29)25-17-13(8-24-26-18(17)19(23)28)16-14(21)3-2-4-15(16)22/h2-8H,9H2,1H3,(H2,23,28)(H,24,25).
What are the key properties of 5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide?
5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide has a molecular weight of 395.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-4-[(2-methyl-1-oxo-3H-isoindol-5-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 175792101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).