N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide

C20H15ClFN3O2 — CID 95232865

IUPACN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
SMILESO=C(N[C@H]1CCc2cc(Cl)ccc21)c1nn(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C20H15ClFN3O2/c21-13-2-7-16-12(11-13)1-8-17(16)23-20(27)19-18(26)9-10-25(24-19)15-5-3-14(22)4-6-15/h2-7,9-11,17H,1,8H2,(H,23,27)/t17-/m0/s1
InChIKeyFBSJXFMGYAQDCF-KRWDZBQOSA-N
MW383.81 g/mol
LogP3.44
Rot. Bonds3

About N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide

N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide (PubChem CID 95232865) has the molecular formula C20H15ClFN3O2 and a molecular weight of 383.81 g/mol. Its IUPAC name is N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
PubChem CID95232865
Molecular FormulaC20H15ClFN3O2
Molecular Weight383.81 g/mol
Exact Mass383.08
IUPAC NameN-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide
SMILESO=C(N[C@H]1CCc2cc(Cl)ccc21)c1nn(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C20H15ClFN3O2/c21-13-2-7-16-12(11-13)1-8-17(16)23-20(27)19-18(26)9-10-25(24-19)15-5-3-14(22)4-6-15/h2-7,9-11,17H,1,8H2,(H,23,27)/t17-/m0/s1
InChIKeyFBSJXFMGYAQDCF-KRWDZBQOSA-N
XLogP3.44
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.81
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-(4-chlorobenzoyl)-1-(4-fluorophenyl)-4-oxopyridazine-3-carbohydrazide
CID 2745061
2-[(5-chloro-2,3-dihydro-1H-inden-1-yl)carbamoyl]-6-fluorophenolate
CID 155718328
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-5-fluoro-2,3-dihydro-1,2-benzothiazole-6-carboxamide
CID 171794326
N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-3-cyclopropyl-1-methylpyrazole-5-carboxamide
CID 164939962
5-chloro-N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-2-hydroxybenzamide
CID 164939975
carbon dioxide;N-[(1R)-5-chloro-2,3-dihydro-1H-inden-1-yl]-5-fluoro-2,3-dihydro-1,2-benzothiazole-6-carboxamide
CID 171794325
2-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)acetamide
CID 119300808
1-(5-chloro-2,3-dihydro-1H-inden-1-yl)-3-[(3-pyrazol-1-ylphenyl)methyl]urea
CID 86966975
N-(5-chloro-2,3-dihydro-1H-inden-1-yl)-2-hydroxy-3-methylbenzamide
CID 155283136
1-amino-N-(5-chloro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxamide
CID 91645508
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 47380214
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-4-(trifluoromethylsulfonylamino)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The IUPAC name of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide (CID 95232865) is N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide is O=C(N[C@H]1CCc2cc(Cl)ccc21)c1nn(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
The InChIKey is FBSJXFMGYAQDCF-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H15ClFN3O2/c21-13-2-7-16-12(11-13)1-8-17(16)23-20(27)19-18(26)9-10-25(24-19)15-5-3-14(22)4-6-15/h2-7,9-11,17H,1,8H2,(H,23,27)/t17-/m0/s1.
What are the key properties of N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide?
N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide has a molecular weight of 383.81 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-5-chloro-2,3-dihydro-1H-inden-1-yl]-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxamide is sourced from PubChem (CID 95232865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).