2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide

C22H15FN8O3 — CID 24876684

IUPAC2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide
SMILESCc1[nH]nc2nccc(Oc3ncc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cn3)c12
InChIInChI=1S/C22H15FN8O3/c1-12-18-17(7-8-24-19(18)30-29-12)34-22-25-10-14(11-26-22)28-20(32)16-6-9-27-31(21(16)33)15-4-2-13(23)3-5-15/h2-11H,1H3,(H,28,32)(H,24,29,30)
InChIKeyCBFAVFULWUWDGH-UHFFFAOYSA-N
MW458.41 g/mol
LogP2.79
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide

2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide (PubChem CID 24876684) has the molecular formula C22H15FN8O3 and a molecular weight of 458.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide
PubChem CID24876684
Molecular FormulaC22H15FN8O3
Molecular Weight458.41 g/mol
Exact Mass458.13
IUPAC Name2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide
SMILESCc1[nH]nc2nccc(Oc3ncc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cn3)c12
InChIInChI=1S/C22H15FN8O3/c1-12-18-17(7-8-24-19(18)30-29-12)34-22-25-10-14(11-26-22)28-20(32)16-6-9-27-31(21(16)33)15-4-2-13(23)3-5-15/h2-11H,1H3,(H,28,32)(H,24,29,30)
InChIKeyCBFAVFULWUWDGH-UHFFFAOYSA-N
XLogP2.79
TPSA140.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide with MolForge

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Related Compounds

N-[3-fluoro-4-[[3-(4-methylpiperazine-1-carbonyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 59304394
N-[3-fluoro-4-[[3-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 24876601
N-[4-[[3-[4-(dimethylamino)phenyl]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 135939671
N-[4-[[3-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 146425759
2-(4-fluorophenyl)-N-[5-[[3-(1-hydroxypropan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-2-pyridinyl]-3-oxopyridazine-4-carboxamide
CID 146441723
N-[3-fluoro-4-[[3-[[1-(methoxymethyl)cyclopropyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 146432435
N-[4-[[3-(2,3-dihydroxypropoxy)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide;hydrochloride
CID 67221449
N-[3-fluoro-4-[[3-(3-hydroxypiperidin-4-yl)oxy-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 67220931
N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 169025743
N-[4-[[3-(1-ethylpiperidin-4-yl)oxy-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 67221164
N-[4-[[3-[(1-ethylpiperidin-4-yl)methoxy]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide;dihydrochloride
CID 25253074
N-[3-fluoro-4-(2-iodothieno[3,2-b]pyridin-7-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 67348506

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide (CID 24876684) is 2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide is Cc1[nH]nc2nccc(Oc3ncc(NC(=O)c4ccnn(-c5ccc(F)cc5)c4=O)cn3)c12.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide?
The InChIKey is CBFAVFULWUWDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN8O3/c1-12-18-17(7-8-24-19(18)30-29-12)34-22-25-10-14(11-26-22)28-20(32)16-6-9-27-31(21(16)33)15-4-2-13(23)3-5-15/h2-11H,1H3,(H,28,32)(H,24,29,30).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide?
2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide has a molecular weight of 458.41 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[(3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl)oxy]pyrimidin-5-yl]-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 24876684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).