1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide

C25H16F3N5O3 — CID 141481088

IUPAC1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)n(-c2ccc(F)c(F)c2)nc1C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
InChIInChI=1S/C25H16F3N5O3/c1-13-10-22(34)33(15-3-4-17(26)18(27)12-15)32-23(13)25(35)31-14-2-5-21(19(28)11-14)36-20-7-9-30-24-16(20)6-8-29-24/h2-12H,1H3,(H,29,30)(H,31,35)
InChIKeyLRNDKEPGOVDOFJ-UHFFFAOYSA-N
MW491.43 g/mol
LogP4.88
Rot. Bonds5

About 1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide

1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 141481088) has the molecular formula C25H16F3N5O3 and a molecular weight of 491.43 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
PubChem CID141481088
Molecular FormulaC25H16F3N5O3
Molecular Weight491.43 g/mol
Exact Mass491.12
IUPAC Name1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide
SMILESCc1cc(=O)n(-c2ccc(F)c(F)c2)nc1C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
InChIInChI=1S/C25H16F3N5O3/c1-13-10-22(34)33(15-3-4-17(26)18(27)12-15)32-23(13)25(35)31-14-2-5-21(19(28)11-14)36-20-7-9-30-24-16(20)6-8-29-24/h2-12H,1H3,(H,29,30)(H,31,35)
InChIKeyLRNDKEPGOVDOFJ-UHFFFAOYSA-N
XLogP4.88
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.43
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
1-(3-chloro-4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-5-methyltriazole-4-carboxamide
CID 127030562
N-[3-fluoro-4-(1-methylpyrrolo[2,3-b]pyridin-4-yl)oxyphenyl]-1-(3-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 141481090
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162664657
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-(propylamino)acetamide
CID 59819825
5-amino-1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxopyridine-3-carboxamide
CID 21081774
N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 151008273
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
1-(4-fluorophenyl)-N-[4-methyl-3-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]pyrazole-3-carboxamide
CID 166467832
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162670779
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-(2-methylbutan-2-ylamino)acetamide
CID 59819813
N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-[[3-methoxy-2-(methoxymethyl)-2-methylpropyl]amino]acetamide
CID 59819767

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of 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) is 1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide is Cc1cc(=O)n(-c2ccc(F)c(F)c2)nc1C(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is LRNDKEPGOVDOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16F3N5O3/c1-13-10-22(34)33(15-3-4-17(26)18(27)12-15)32-23(13)25(35)31-14-2-5-21(19(28)11-14)36-20-7-9-30-24-16(20)6-8-29-24/h2-12H,1H3,(H,29,30)(H,31,35).
What are the key properties of 1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide?
1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 491.43 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-4-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 141481088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).