1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

C31H25N3O5 — CID 71266874

IUPAC1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC(OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)oc2nnccc12)c1ccccc1
InChIInChI=1S/C31H25N3O5/c1-19(20-5-3-2-4-6-20)38-30(37)33-26-25-15-18-32-34-28(25)39-27(26)23-9-7-21(8-10-23)22-11-13-24(14-12-22)31(16-17-31)29(35)36/h2-15,18-19H,16-17H2,1H3,(H,33,37)(H,35,36)
InChIKeyNXINQTWYLFUDNX-UHFFFAOYSA-N
MW519.56 g/mol
LogP6.98
Rot. Bonds7

About 1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid

1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (PubChem CID 71266874) has the molecular formula C31H25N3O5 and a molecular weight of 519.56 g/mol. Its IUPAC name is 1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
PubChem CID71266874
Molecular FormulaC31H25N3O5
Molecular Weight519.56 g/mol
Exact Mass519.18
IUPAC Name1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
SMILESCC(OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)oc2nnccc12)c1ccccc1
InChIInChI=1S/C31H25N3O5/c1-19(20-5-3-2-4-6-20)38-30(37)33-26-25-15-18-32-34-28(25)39-27(26)23-9-7-21(8-10-23)22-11-13-24(14-12-22)31(16-17-31)29(35)36/h2-15,18-19H,16-17H2,1H3,(H,33,37)(H,35,36)
InChIKeyNXINQTWYLFUDNX-UHFFFAOYSA-N
XLogP6.98
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.56
LogP ≤ 56.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-[4-[4-[4-(1-phenylethoxycarbonylamino)pyridazin-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266217
1-[4-[4-[3-ethyl-4-(1-phenylethoxycarbonylamino)-1,2-oxazol-5-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 66660644
ethane;methyl 1-[4-[4-[3-[[(1R)-1-phenylethoxy]carbonylamino]-6-(trifluoromethyl)furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate
CID 144533491
1-[4-[4-[5-(1-phenylethoxycarbonylamino)-1,2,4-triazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266846
1-[4-[4-[5-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-thiazol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266733
disodium;2-[4-[4-(1-methoxycarbonylcyclopropyl)phenyl]phenyl]-6-methylfuro[2,3-b]pyridine-3-carboxylic acid;methyl 1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylate;1-[4-[4-[6-methyl-3-[[(1R)-1-phenylethoxy]carbonylamino]furo[2,3-b]pyridin-2-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid;(1S)-1-phenylethanol;hydroxide
CID 158666651
3,3-difluoro-1-[4-[4-[3-methyl-4-[[(1R)-1-phenylethoxy]carbonylamino]-1,2-oxazol-5-yl]phenyl]phenyl]cyclobutane-1-carboxylic acid
CID 90298823
1-[4-[4-[5-[[(1R)-1-phenylethoxy]carbonylamino]thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 89449096
1-[4-[4-[5-(1-phenylethoxycarbonylamino)thiadiazol-4-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71266635
1-[4-[4-[5-(1-phenylethoxycarbonylamino)-7H-pyrrolo[1,2-a]imidazol-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 161233232
1-[4-[4-[5-(1-phenylethoxycarbonylamino)tetrazol-1-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 71265955
1-[4-[4-[1-methyl-5-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-3-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid
CID 70856566

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid (CID 71266874) is 1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is CC(OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)oc2nnccc12)c1ccccc1.
What is the InChIKey of 1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is NXINQTWYLFUDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25N3O5/c1-19(20-5-3-2-4-6-20)38-30(37)33-26-25-15-18-32-34-28(25)39-27(26)23-9-7-21(8-10-23)22-11-13-24(14-12-22)31(16-17-31)29(35)36/h2-15,18-19H,16-17H2,1H3,(H,33,37)(H,35,36).
What are the key properties of 1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid?
1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 519.56 g/mol, XLogP of 6.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-(1-phenylethoxycarbonylamino)furo[2,3-c]pyridazin-6-yl]phenyl]phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 71266874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).