N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide

C27H25F3N4O — CID 89463338

IUPACN-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(C3(c4ccc(C(F)(F)F)cn4)CC3)c2)CC1)c1cccnn1
InChIInChI=1S/C27H25F3N4O/c28-27(29,30)21-8-11-24(31-17-21)26(12-13-26)20-4-1-3-19(16-20)15-18-6-9-22(10-7-18)33-25(35)23-5-2-14-32-34-23/h1-5,8,11,14-17,22H,6-7,9-10,12-13H2,(H,33,35)/b18-15-
InChIKeyKPNWBFKCAAJXGI-SDXDJHTJSA-N
MW478.52 g/mol
LogP5.73
Rot. Bonds5

About N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide

N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide (PubChem CID 89463338) has the molecular formula C27H25F3N4O and a molecular weight of 478.52 g/mol. Its IUPAC name is N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide
PubChem CID89463338
Molecular FormulaC27H25F3N4O
Molecular Weight478.52 g/mol
Exact Mass478.20
IUPAC NameN-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide
SMILESO=C(NC1CCC(=Cc2cccc(C3(c4ccc(C(F)(F)F)cn4)CC3)c2)CC1)c1cccnn1
InChIInChI=1S/C27H25F3N4O/c28-27(29,30)21-8-11-24(31-17-21)26(12-13-26)20-4-1-3-19(16-20)15-18-6-9-22(10-7-18)33-25(35)23-5-2-14-32-34-23/h1-5,8,11,14-17,22H,6-7,9-10,12-13H2,(H,33,35)/b18-15-
InChIKeyKPNWBFKCAAJXGI-SDXDJHTJSA-N
XLogP5.73
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.52
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[(3E)-3-[2-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide
CID 89463218
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]pyridine-4-carboxamide
CID 71543956
N-[(3E)-3-[1-[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]ethylidene]cyclopentyl]pyridine-3-carboxamide
CID 89463476
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 89464321
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 71544011
N-[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]-1H-pyrrole-2-carboxamide
CID 141362482
ethyl 2-[4-[[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]carbamoyl]pyrazol-1-yl]acetate
CID 89463844
N-[4-(difluoromethyl)cyclohexyl]pyridazine-3-carboxamide
CID 136555200
2-[4-[[4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]cyclohexyl]carbamoyl]pyrazol-1-yl]butanoic acid
CID 89463843
N-cyclopropyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]piperidine-1-carboxamide;ethene
CID 171499902
N-(4-hydroxycyclohexyl)pyridazine-3-carboxamide
CID 141460592
N-[4-[(3-aminophenyl)methylidene]cyclohexyl]pyridine-3-carboxamide
CID 89463574

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide?
The IUPAC name of N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide (CID 89463338) is N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide?
The canonical SMILES for N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide is O=C(NC1CCC(=Cc2cccc(C3(c4ccc(C(F)(F)F)cn4)CC3)c2)CC1)c1cccnn1.
What is the InChIKey of N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide?
The InChIKey is KPNWBFKCAAJXGI-SDXDJHTJSA-N. The full InChI is InChI=1S/C27H25F3N4O/c28-27(29,30)21-8-11-24(31-17-21)26(12-13-26)20-4-1-3-19(16-20)15-18-6-9-22(10-7-18)33-25(35)23-5-2-14-32-34-23/h1-5,8,11,14-17,22H,6-7,9-10,12-13H2,(H,33,35)/b18-15-.
What are the key properties of N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide?
N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide has a molecular weight of 478.52 g/mol, XLogP of 5.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-[1-[5-(trifluoromethyl)-2-pyridinyl]cyclopropyl]phenyl]methylidene]cyclohexyl]pyridazine-3-carboxamide is sourced from PubChem (CID 89463338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).