N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide

C19H17FN6O3 — CID 118174312

IUPACN-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
SMILESCN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3cncc(F)c3)nn1)CCC2
InChIInChI=1S/C19H17FN6O3/c1-25-18(28)13-3-2-6-26(17(13)19(25)29)10-16(27)22-15-5-4-14(23-24-15)11-7-12(20)9-21-8-11/h4-5,7-9H,2-3,6,10H2,1H3,(H,22,24,27)
InChIKeyOJYZCOONAYUXGK-UHFFFAOYSA-N
MW396.38 g/mol
LogP0.96
Rot. Bonds4

About N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide

N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide (PubChem CID 118174312) has the molecular formula C19H17FN6O3 and a molecular weight of 396.38 g/mol. Its IUPAC name is N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
PubChem CID118174312
Molecular FormulaC19H17FN6O3
Molecular Weight396.38 g/mol
Exact Mass396.13
IUPAC NameN-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide
SMILESCN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3cncc(F)c3)nn1)CCC2
InChIInChI=1S/C19H17FN6O3/c1-25-18(28)13-3-2-6-26(17(13)19(25)29)10-16(27)22-15-5-4-14(23-24-15)11-7-12(20)9-21-8-11/h4-5,7-9H,2-3,6,10H2,1H3,(H,22,24,27)
InChIKeyOJYZCOONAYUXGK-UHFFFAOYSA-N
XLogP0.96
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(5-phenyl-2-pyridinyl)acetamide
CID 118174089
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-phenylpyridazin-3-yl)acetamide
CID 118174196
5-(6-(4-(6-fluoroindolin-1-yl)piperidin-1-yl)pyridazin-3-yl)-N-methylpicolinamide
CID 76321980
2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide
CID 91810397
2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide
CID 118174040
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(6-methyl-3-pyridinyl)pyridazin-3-yl]acetamide
CID 118174075
2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-(6-pyridin-3-ylpyridazin-3-yl)acetamide
CID 118174137
2-(6-cyclopropyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)-N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]acetamide
CID 118174232
1-[3-(3-methylanilino)-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121372875
2-[4-[4-(6-fluoro-2-pyridinyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049603
2-[4-[4-(5-fluoro-2-pyridinyl)piperidine-1-carbonyl]-5-methylpyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049665
(2S)-2-[(2-amino-2-oxoethyl)amino]-3-(4-fluorophenyl)-N-[1-methyl-3-[2-(methylamino)-4-pyridinyl]pyrazol-5-yl]propanamide
CID 73349339

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?
The IUPAC name of N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide (CID 118174312) is N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide.
What is the SMILES notation for N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?
The canonical SMILES for N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide is CN1C(=O)C2=C(C1=O)N(CC(=O)Nc1ccc(-c3cncc(F)c3)nn1)CCC2.
What is the InChIKey of N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?
The InChIKey is OJYZCOONAYUXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O3/c1-25-18(28)13-3-2-6-26(17(13)19(25)29)10-16(27)22-15-5-4-14(23-24-15)11-7-12(20)9-21-8-11/h4-5,7-9H,2-3,6,10H2,1H3,(H,22,24,27).
What are the key properties of N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide?
N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide has a molecular weight of 396.38 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-3-pyridinyl)pyridazin-3-yl]-2-(6-methyl-5,7-dioxo-3,4-dihydro-2H-pyrrolo[3,4-b]pyridin-1-yl)acetamide is sourced from PubChem (CID 118174312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).