N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide

C27H31FN6O — CID 69167242

IUPACN-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide
SMILESO=C(c1ccnnc1)N(Cc1ccc(N2CCN(C3CCCCC3)CC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C27H31FN6O/c28-23-7-9-25(10-8-23)34(27(35)22-12-13-30-31-19-22)20-21-6-11-26(29-18-21)33-16-14-32(15-17-33)24-4-2-1-3-5-24/h6-13,18-19,24H,1-5,14-17,20H2
InChIKeyCTJLQONBYGGAIF-UHFFFAOYSA-N
MW474.58 g/mol
LogP4.31
Rot. Bonds6

About N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide

N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide (PubChem CID 69167242) has the molecular formula C27H31FN6O and a molecular weight of 474.58 g/mol. Its IUPAC name is N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide
PubChem CID69167242
Molecular FormulaC27H31FN6O
Molecular Weight474.58 g/mol
Exact Mass474.25
IUPAC NameN-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide
SMILESO=C(c1ccnnc1)N(Cc1ccc(N2CCN(C3CCCCC3)CC2)nc1)c1ccc(F)cc1
InChIInChI=1S/C27H31FN6O/c28-23-7-9-25(10-8-23)34(27(35)22-12-13-30-31-19-22)20-21-6-11-26(29-18-21)33-16-14-32(15-17-33)24-4-2-1-3-5-24/h6-13,18-19,24H,1-5,14-17,20H2
InChIKeyCTJLQONBYGGAIF-UHFFFAOYSA-N
XLogP4.31
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.58
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide with MolForge

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Related Compounds

N-(4-fluorophenyl)-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 69188638
N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-1,3-benzothiazole-2-carboxamide
CID 25056602
N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide
CID 11567045
1-[(4-chlorophenyl)methyl]-N-(4-fluorophenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]imidazole-4-carboxamide
CID 90693440
4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid
CID 67144831
1-cycloheptyl-4-[(4-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483560
N-(4-fluorophenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360828
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 62369629
N-benzyl-6-morpholin-4-yl-N-phenylpyridine-3-carboxamide
CID 109153444
N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 11623843
1-[1-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]propan-2-yl]-1-(2-methoxyethyl)urea
CID 69341567
N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide
CID 68860348

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide?
The IUPAC name of N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide (CID 69167242) is N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide.
What is the SMILES notation for N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide?
The canonical SMILES for N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide is O=C(c1ccnnc1)N(Cc1ccc(N2CCN(C3CCCCC3)CC2)nc1)c1ccc(F)cc1.
What is the InChIKey of N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide?
The InChIKey is CTJLQONBYGGAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN6O/c28-23-7-9-25(10-8-23)34(27(35)22-12-13-30-31-19-22)20-21-6-11-26(29-18-21)33-16-14-32(15-17-33)24-4-2-1-3-5-24/h6-13,18-19,24H,1-5,14-17,20H2.
What are the key properties of N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide?
N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide has a molecular weight of 474.58 g/mol, XLogP of 4.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]methyl]-N-(4-fluorophenyl)pyridazine-4-carboxamide is sourced from PubChem (CID 69167242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).