N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide

C30H29F2N7O4 — CID 146432916

IUPACN-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide
SMILESCOC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C(C)C)nn(-c5ccc(F)cc5)c4=O)cc3F)c12
InChIInChI=1S/C30H29F2N7O4/c1-16(2)23-14-21(30(41)39(38-23)20-8-5-18(31)6-9-20)29(40)35-19-7-10-24(22(32)13-19)43-25-11-12-33-27-26(25)28(37-36-27)34-17(3)15-42-4/h5-14,16-17H,15H2,1-4H3,(H,35,40)(H2,33,34,36,37)/t17-/m1/s1
InChIKeyILDGLWABSXCPNG-QGZVFWFLSA-N
MW589.60 g/mol
LogP5.40
Rot. Bonds10

About N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide

N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide (PubChem CID 146432916) has the molecular formula C30H29F2N7O4 and a molecular weight of 589.60 g/mol. Its IUPAC name is N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide
PubChem CID146432916
Molecular FormulaC30H29F2N7O4
Molecular Weight589.60 g/mol
Exact Mass589.22
IUPAC NameN-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide
SMILESCOC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C(C)C)nn(-c5ccc(F)cc5)c4=O)cc3F)c12
InChIInChI=1S/C30H29F2N7O4/c1-16(2)23-14-21(30(41)39(38-23)20-8-5-18(31)6-9-20)29(40)35-19-7-10-24(22(32)13-19)43-25-11-12-33-27-26(25)28(37-36-27)34-17(3)15-42-4/h5-14,16-17H,15H2,1-4H3,(H,35,40)(H2,33,34,36,37)/t17-/m1/s1
InChIKeyILDGLWABSXCPNG-QGZVFWFLSA-N
XLogP5.40
TPSA136.05 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.60
LogP ≤ 55.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-fluoro-4-[[3-(1-methoxypropan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
CID 146441777
1-ethyl-N-[3-fluoro-4-[[3-[[(2S)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 146432515
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-[(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
1-cyclobutyl-N-[3-fluoro-4-[[3-[[(2S)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1,3-diazinane-5-carboxamide
CID 162678301
N-[3-fluoro-4-[[3-(1-hydroxypropan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-5-(4-fluorophenyl)-4-oxo-1-propan-2-ylpyridine-3-carboxamide
CID 146441732
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
3-(3,4-difluorophenyl)-N-[3-fluoro-4-[[3-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 146441734
3-(4-chlorophenyl)-N-[3-fluoro-4-[[3-(1-hydroxypropan-2-ylamino)-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 146441756
N-[3-fluoro-4-[[3-[[(2S)-2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 162678315
N-[3-fluoro-4-[[3-[[(1R)-2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 146432921
1-ethyl-N-[3-fluoro-4-[[3-[(1-methoxy-2-methylpropan-2-yl)amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 146432907

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide (CID 146432916) is N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide is COC[C@@H](C)Nc1n[nH]c2nccc(Oc3ccc(NC(=O)c4cc(C(C)C)nn(-c5ccc(F)cc5)c4=O)cc3F)c12.
What is the InChIKey of N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide?
The InChIKey is ILDGLWABSXCPNG-QGZVFWFLSA-N. The full InChI is InChI=1S/C30H29F2N7O4/c1-16(2)23-14-21(30(41)39(38-23)20-8-5-18(31)6-9-20)29(40)35-19-7-10-24(22(32)13-19)43-25-11-12-33-27-26(25)28(37-36-27)34-17(3)15-42-4/h5-14,16-17H,15H2,1-4H3,(H,35,40)(H2,33,34,36,37)/t17-/m1/s1.
What are the key properties of N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide?
N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide has a molecular weight of 589.60 g/mol, XLogP of 5.40, 10 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[3-[[(2R)-1-methoxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]-2-(4-fluorophenyl)-3-oxo-6-propan-2-ylpyridazine-4-carboxamide is sourced from PubChem (CID 146432916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).