N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine

C24H24FN5O — CID 42632842

IUPACN-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
SMILESCC[C@H](Nc1ccc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C24H24FN5O/c1-4-20(17-5-8-19(25)9-6-17)27-24-12-10-21(28-29-24)18-7-11-22(23(13-18)31-3)30-14-16(2)26-15-30/h5-15,20H,4H2,1-3H3,(H,27,29)/t20-/m0/s1
InChIKeyLLKYYJXLVHQNLT-FQEVSTJZSA-N
MW417.49 g/mol
LogP5.35
Rot. Bonds7

About N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine

N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine (PubChem CID 42632842) has the molecular formula C24H24FN5O and a molecular weight of 417.49 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
PubChem CID42632842
Molecular FormulaC24H24FN5O
Molecular Weight417.49 g/mol
Exact Mass417.20
IUPAC NameN-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine
SMILESCC[C@H](Nc1ccc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1)c1ccc(F)cc1
InChIInChI=1S/C24H24FN5O/c1-4-20(17-5-8-19(25)9-6-17)27-24-12-10-21(28-29-24)18-7-11-22(23(13-18)31-3)30-14-16(2)26-15-30/h5-15,20H,4H2,1-3H3,(H,27,29)/t20-/m0/s1
InChIKeyLLKYYJXLVHQNLT-FQEVSTJZSA-N
XLogP5.35
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.49
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 73386890
CID 73386890
CID 72202474
CID 72202474
CID 24795070
CID 24795070
CID 73386882
CID 73386882
CID 73387064
CID 73387064
CID 5329418
CID 5329418
CID 6539961
CID 6539961
CID 73386878
CID 73386878
CID 54577892
CID 54577892
CID 57392473
CID 57392473
CID 57392475
CID 57392475
CID 57402936
CID 57402936

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine (CID 42632842) is N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine is CC[C@H](Nc1ccc(-c2ccc(-n3cnc(C)c3)c(OC)c2)nn1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine?
The InChIKey is LLKYYJXLVHQNLT-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H24FN5O/c1-4-20(17-5-8-19(25)9-6-17)27-24-12-10-21(28-29-24)18-7-11-22(23(13-18)31-3)30-14-16(2)26-15-30/h5-15,20H,4H2,1-3H3,(H,27,29)/t20-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine?
N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine has a molecular weight of 417.49 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)propyl]-6-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 42632842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).