N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide

C28H24FN5O5 — CID 162676764

IUPACN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide
SMILESCOc1ccc(-n2cc(C)c(=O)c(C(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)n2)cc1
InChIInChI=1S/C28H24FN5O5/c1-16-15-34(19-6-8-20(38-2)9-7-19)33-25(26(16)35)28(37)31-18-5-10-23(22(29)13-18)39-21-11-12-30-24(14-21)32-27(36)17-3-4-17/h5-15,17H,3-4H2,1-2H3,(H,31,37)(H,30,32,36)
InChIKeyMIURXHRLXKOKLQ-UHFFFAOYSA-N
MW529.53 g/mol
LogP4.48
Rot. Bonds8

About N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide

N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide (PubChem CID 162676764) 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)-5-methyl-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide
PubChem CID162676764
Molecular FormulaC28H24FN5O5
Molecular Weight529.53 g/mol
Exact Mass529.18
IUPAC NameN-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide
SMILESCOc1ccc(-n2cc(C)c(=O)c(C(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)n2)cc1
InChIInChI=1S/C28H24FN5O5/c1-16-15-34(19-6-8-20(38-2)9-7-19)33-25(26(16)35)28(37)31-18-5-10-23(22(29)13-18)39-21-11-12-30-24(14-21)32-27(36)17-3-4-17/h5-15,17H,3-4H2,1-2H3,(H,31,37)(H,30,32,36)
InChIKeyMIURXHRLXKOKLQ-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

Analyze N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide (CID 162676764) is N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide is COc1ccc(-n2cc(C)c(=O)c(C(=O)Nc3ccc(Oc4ccnc(NC(=O)C5CC5)c4)c(F)c3)n2)cc1.
What is the InChIKey of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-oxopyridazine-3-carboxamide?
The InChIKey is MIURXHRLXKOKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN5O5/c1-16-15-34(19-6-8-20(38-2)9-7-19)33-25(26(16)35)28(37)31-18-5-10-23(22(29)13-18)39-21-11-12-30-24(14-21)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)-5-methyl-4-oxopyridazine-3-carboxamide?
N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]-3-fluorophenyl]-1-(4-methoxyphenyl)-5-methyl-4-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)-5-methyl-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 162676764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).