N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide

C28H24FN5O5 — CID 162670779

IUPACN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)c(C)cc2=O)cc1
InChIInChI=1S/C28H24FN5O5/c1-16-13-25(35)34(19-6-8-20(38-2)9-7-19)33-26(16)28(37)31-18-5-10-23(22(29)14-18)39-21-11-12-30-24(15-21)32-27(36)17-3-4-17/h5-15,17H,3-4H2,1-2H3,(H,31,37)(H,30,32,36)
InChIKeyKBPDRNRDZUZAMO-UHFFFAOYSA-N
MW529.53 g/mol
LogP4.48
Rot. Bonds8

About N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide

N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 162670779) has the molecular formula C28H24FN5O5 and a molecular weight of 529.53 g/mol. Its IUPAC name is N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
PubChem CID162670779
Molecular FormulaC28H24FN5O5
Molecular Weight529.53 g/mol
Exact Mass529.18
IUPAC NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide
SMILESCOc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)c(C)cc2=O)cc1
InChIInChI=1S/C28H24FN5O5/c1-16-13-25(35)34(19-6-8-20(38-2)9-7-19)33-26(16)28(37)31-18-5-10-23(22(29)14-18)39-21-11-12-30-24(15-21)32-27(36)17-3-4-17/h5-15,17H,3-4H2,1-2H3,(H,31,37)(H,30,32,36)
InChIKeyKBPDRNRDZUZAMO-UHFFFAOYSA-N
XLogP4.48
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500529.53
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-fluorophenyl)-4-methyl-6-oxopyridazine-3-carboxamide
CID 162664657
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
2-(3-chlorophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-3,5-dioxo-1,2,4-triazine-6-carboxamide
CID 162660316
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(2,6-dimethylphenyl)-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175690573
CID 168876123
CID 168876123
1-(2-bromophenyl)-N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-4-methyl-5-oxo-1,2,4-triazole-3-carboxamide
CID 175690442
N-[3-fluoro-4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-4-methyl-6-oxo-1-[3-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 151008273
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
N-[4-[2-fluoro-4-[[2-(trifluoromethyl)-4-pyridinyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233803
N-(4-chlorophenyl)-1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-methyl-6-oxopyridazine-3-carboxamide
CID 171780286
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-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-phosphanylphenyl]-1-phenyl-5-(trifluoromethyl)imidazole-4-carboxamide
CID 167270176

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide (CID 162670779) is N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide is COc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)c(C)cc2=O)cc1.
What is the InChIKey of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is KBPDRNRDZUZAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O5/c1-16-13-25(35)34(19-6-8-20(38-2)9-7-19)33-26(16)28(37)31-18-5-10-23(22(29)14-18)39-21-11-12-30-24(15-21)32-27(36)17-3-4-17/h5-15,17H,3-4H2,1-2H3,(H,31,37)(H,30,32,36).
What are the key properties of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide?
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 529.53 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-4-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 162670779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).