N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide

C29H19F2N7O3 — CID 59159932

IUPACN-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
SMILESNc1ccc(-c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3ccnn(-c4ccc(F)cc4)c3=O)cc2F)cn1
InChIInChI=1S/C29H19F2N7O3/c30-18-2-5-20(6-3-18)38-29(40)21(9-10-35-38)28(39)36-19-4-7-25(23(31)12-19)41-26-11-17-15-34-37-24(17)13-22(26)16-1-8-27(32)33-14-16/h1-15H,(H2,32,33)(H,34,37)(H,36,39)
InChIKeyPGKJPHKDPWKLBN-UHFFFAOYSA-N
MW551.51 g/mol
LogP5.08
Rot. Bonds6

About N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide

N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide (PubChem CID 59159932) has the molecular formula C29H19F2N7O3 and a molecular weight of 551.51 g/mol. Its IUPAC name is N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
PubChem CID59159932
Molecular FormulaC29H19F2N7O3
Molecular Weight551.51 g/mol
Exact Mass551.15
IUPAC NameN-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
SMILESNc1ccc(-c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3ccnn(-c4ccc(F)cc4)c3=O)cc2F)cn1
InChIInChI=1S/C29H19F2N7O3/c30-18-2-5-20(6-3-18)38-29(40)21(9-10-35-38)28(39)36-19-4-7-25(23(31)12-19)41-26-11-17-15-34-37-24(17)13-22(26)16-1-8-27(32)33-14-16/h1-15H,(H2,32,33)(H,34,37)(H,36,39)
InChIKeyPGKJPHKDPWKLBN-UHFFFAOYSA-N
XLogP5.08
TPSA140.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.51
LogP ≤ 55.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[(2-carbamoyl-3-chloro-4-pyridinyl)oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 169025743
N-[4-[(6-amino-1H-indazol-5-yl)oxy]-3-fluorophenyl]-6-methyl-2-oxo-1-phenylpyridine-3-carboxamide
CID 59159924
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-[3-fluoro-4-(2-iodothieno[3,2-b]pyridin-7-yl)oxyphenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 67348506
N-[4-[[2-amino-3-[N'-(1,3-dihydroxypropan-2-yl)carbamimidoyl]-4-pyridinyl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 166579846
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-[(6-morpholin-4-yl-1H-indazol-5-yl)oxy]phenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide
CID 59159943
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-[4-[[2-amino-3-[N'-(3-methoxycyclobutyl)carbamimidoyl]-4-pyridinyl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 166579835
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-[(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
N-[4-[[2-amino-3-(3-morpholin-4-ylprop-1-ynyl)-4-pyridinyl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide
CID 169025755

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?
The IUPAC name of N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide (CID 59159932) is N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide.
What is the SMILES notation for N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?
The canonical SMILES for N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide is Nc1ccc(-c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3ccnn(-c4ccc(F)cc4)c3=O)cc2F)cn1.
What is the InChIKey of N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?
The InChIKey is PGKJPHKDPWKLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19F2N7O3/c30-18-2-5-20(6-3-18)38-29(40)21(9-10-35-38)28(39)36-19-4-7-25(23(31)12-19)41-26-11-17-15-34-37-24(17)13-22(26)16-1-8-27(32)33-14-16/h1-15H,(H2,32,33)(H,34,37)(H,36,39).
What are the key properties of N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide?
N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide has a molecular weight of 551.51 g/mol, XLogP of 5.08, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(6-amino-3-pyridinyl)-1H-indazol-5-yl]oxy]-3-fluorophenyl]-2-(4-fluorophenyl)-3-oxopyridazine-4-carboxamide is sourced from PubChem (CID 59159932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).