6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one

C26H28FN7O2 — CID 58540121

IUPAC6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one
SMILESCc1cc(Nc2cc(-c3ccc(F)c(CC(=O)c4cnc(C(C)(C)C)cn4)c3)nn(C)c2=O)nn1C
InChIInChI=1S/C26H28FN7O2/c1-15-9-24(32-33(15)5)30-20-12-19(31-34(6)25(20)36)16-7-8-18(27)17(10-16)11-22(35)21-13-29-23(14-28-21)26(2,3)4/h7-10,12-14H,11H2,1-6H3,(H,30,32)
InChIKeyNTRIZWGWHCYUIY-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.88
Rot. Bonds6

About 6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one

6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one (PubChem CID 58540121) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one
PubChem CID58540121
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one
SMILESCc1cc(Nc2cc(-c3ccc(F)c(CC(=O)c4cnc(C(C)(C)C)cn4)c3)nn(C)c2=O)nn1C
InChIInChI=1S/C26H28FN7O2/c1-15-9-24(32-33(15)5)30-20-12-19(31-34(6)25(20)36)16-7-8-18(27)17(10-16)11-22(35)21-13-29-23(14-28-21)26(2,3)4/h7-10,12-14H,11H2,1-6H3,(H,30,32)
InChIKeyNTRIZWGWHCYUIY-UHFFFAOYSA-N
XLogP3.88
TPSA107.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-(4-fluorophenyl)pyrazol-1-yl]pyridine-3-carboxamide
CID 66720197
6-[(5R)-5-benzamidocyclohex-1-en-1-yl]-3-[(1-methyl-1H-pyrazol-4-yl)amino]pyrazine-2-carboxamide
CID 162639718
N-{1-[Amino(oxo)acetyl]pentyl}-2-(3-phenyl-1H-pyrazol-1-yl)nicotinamide
CID 25157358
N-[3,4-dioxo-1-phenyl-4-(prop-2-enylamino)butan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53311527
N-[3,4-dioxo-1-phenyl-4-(propylamino)butan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 53311607
5-tert-butyl-N-[6-fluoro-2-methyl-3-[5-[(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)amino]-6-oxo-1H-pyridazin-3-yl]phenyl]pyrazine-2-carboxamide
CID 58540323
N-[4-(ethylamino)-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 66720010
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-cyclohexylpyrazol-1-yl)pyridine-3-carboxamide
CID 66720064
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-tert-butylpyrazol-1-yl)pyridine-3-carboxamide
CID 66720071
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 66720098
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-(3-phenylpyrazol-1-yl)pyridine-3-carboxamide
CID 66720134
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-[3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]pyridine-3-carboxamide
CID 66720146

Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one?
The IUPAC name of 6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one (CID 58540121) is 6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one.
What is the SMILES notation for 6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one?
The canonical SMILES for 6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one is Cc1cc(Nc2cc(-c3ccc(F)c(CC(=O)c4cnc(C(C)(C)C)cn4)c3)nn(C)c2=O)nn1C.
What is the InChIKey of 6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one?
The InChIKey is NTRIZWGWHCYUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-15-9-24(32-33(15)5)30-20-12-19(31-34(6)25(20)36)16-7-8-18(27)17(10-16)11-22(35)21-13-29-23(14-28-21)26(2,3)4/h7-10,12-14H,11H2,1-6H3,(H,30,32).
What are the key properties of 6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one?
6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one has a molecular weight of 489.56 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(5-tert-butylpyrazin-2-yl)-2-oxoethyl]-4-fluorophenyl]-4-[(1,5-dimethylpyrazol-3-yl)amino]-2-methylpyridazin-3-one is sourced from PubChem (CID 58540121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).