N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide

C26H19F2N5O3 — CID 141481090

IUPACN-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)n(-c2cccc(F)c2)nc1C(=O)Nc1ccc(Oc2ccnc3c2ccn3C)c(F)c1
InChIInChI=1S/C26H19F2N5O3/c1-15-12-23(34)33(18-5-3-4-16(27)13-18)31-24(15)26(35)30-17-6-7-22(20(28)14-17)36-21-8-10-29-25-19(21)9-11-32(25)2/h3-14H,1-2H3,(H,30,35)
InChIKeyYOMWQZFNYGXLPU-UHFFFAOYSA-N
MW487.47 g/mol
LogP4.75
Rot. Bonds5

About N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide

N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 141481090) has the molecular formula C26H19F2N5O3 and a molecular weight of 487.47 g/mol. Its IUPAC name is N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
PubChem CID141481090
Molecular FormulaC26H19F2N5O3
Molecular Weight487.47 g/mol
Exact Mass487.15
IUPAC NameN-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)n(-c2cccc(F)c2)nc1C(=O)Nc1ccc(Oc2ccnc3c2ccn3C)c(F)c1
InChIInChI=1S/C26H19F2N5O3/c1-15-12-23(34)33(18-5-3-4-16(27)13-18)31-24(15)26(35)30-17-6-7-22(20(28)14-17)36-21-8-10-29-25-19(21)9-11-32(25)2/h3-14H,1-2H3,(H,30,35)
InChIKeyYOMWQZFNYGXLPU-UHFFFAOYSA-N
XLogP4.75
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.47
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481088
1-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481094
N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 151008273
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162664657
N-[3-fluoro-4-[6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-3-(3-fluorophenyl)-4-oxophthalazine-1-carboxamide
CID 118705810
1-(4-chloro-3-fluorophenyl)-N-[3-fluoro-4-[[2-[(3-hydroxyazetidine-1-carbonyl)amino]-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 175430328
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162670779
3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyaniline
CID 155679210
CID 168876123
CID 168876123
4-methyl-N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 150004213
N-(4-chlorophenyl)-1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 171780286
N-[3-fluoro-4-[7-[4-(hydroxyamino)-4-oxobutoxy]-6-methoxyquinolin-4-yl]oxyphenyl]-5-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 162663981

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide (CID 141481090) is N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide is Cc1cc(=O)n(-c2cccc(F)c2)nc1C(=O)Nc1ccc(Oc2ccnc3c2ccn3C)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is YOMWQZFNYGXLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N5O3/c1-15-12-23(34)33(18-5-3-4-16(27)13-18)31-24(15)26(35)30-17-6-7-22(20(28)14-17)36-21-8-10-29-25-19(21)9-11-32(25)2/h3-14H,1-2H3,(H,30,35).
What are the key properties of N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide?
N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 487.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 141481090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).