6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide

C26H24N6O5S — CID 169272209

IUPAC6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(O)c4)c4ccccc34)CC2)nn1
InChIInChI=1S/C26H24N6O5S/c1-38(36,37)30-25(34)23-8-9-24(29-28-23)31-10-12-32(13-11-31)26(35)22-7-6-19(17-14-18(33)16-27-15-17)20-4-2-3-5-21(20)22/h2-9,14-16,33H,10-13H2,1H3,(H,30,34)
InChIKeyFZOLPBFHNKYIPO-UHFFFAOYSA-N
MW532.58 g/mol
LogP2.05
Rot. Bonds5

About 6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide

6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide (PubChem CID 169272209) has the molecular formula C26H24N6O5S and a molecular weight of 532.58 g/mol. Its IUPAC name is 6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide
PubChem CID169272209
Molecular FormulaC26H24N6O5S
Molecular Weight532.58 g/mol
Exact Mass532.15
IUPAC Name6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(O)c4)c4ccccc34)CC2)nn1
InChIInChI=1S/C26H24N6O5S/c1-38(36,37)30-25(34)23-8-9-24(29-28-23)31-10-12-32(13-11-31)26(35)22-7-6-19(17-14-18(33)16-27-15-17)20-4-2-3-5-21(20)22/h2-9,14-16,33H,10-13H2,1H3,(H,30,34)
InChIKeyFZOLPBFHNKYIPO-UHFFFAOYSA-N
XLogP2.05
TPSA145.69 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.58
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide with MolForge

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Related Compounds

6-[4-[4-(3-hydroxyphenyl)-3-methylbenzoyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide
CID 169271979
N-tert-butylsulfonyl-6-[4-[2-[2-(5-hydroxy-3-pyridinyl)ethynyl]benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 169272932
6-[4-[4-(5-hydroxy-3-pyridinyl)-3-methylbenzoyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 169271228
N-(1-adamantylmethylsulfonyl)-6-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 169272545
N-benzylsulfanyl-6-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 170408984
6-[4-[[4-(5-hydroxy-3-pyridinyl)naphthalen-1-yl]methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 178064757
6-[4-[3-fluoro-4-(5-hydroxy-3-pyridinyl)benzoyl]piperazin-1-yl]-N-[3-nitro-4-(2-phenylsulfanylethylamino)phenyl]sulfonylpyridazine-3-carboxamide
CID 169272365
6-[4-[2-[2-(5-hydroxy-3-pyridinyl)ethynyl]benzoyl]piperazin-1-yl]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 169273238
N-(1-adamantylmethyl)-6-[4-[4-(3-ethoxyphenyl)naphthalene-1-carbonyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 169270996
6-[4-[3-(5-ethoxy-3-pyridinyl)-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide
CID 169271767
6-[4-[[4-(5-ethoxy-3-pyridinyl)-3-methylphenyl]methyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide
CID 169272304
6-[4-[[4-(5-hydroxy-3-pyridinyl)-3-methylphenyl]methyl]piperazin-1-yl]pyridazine-3-carboxylic acid
CID 169270900

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide (CID 169272209) is 6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide is CS(=O)(=O)NC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4cncc(O)c4)c4ccccc34)CC2)nn1.
What is the InChIKey of 6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide?
The InChIKey is FZOLPBFHNKYIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O5S/c1-38(36,37)30-25(34)23-8-9-24(29-28-23)31-10-12-32(13-11-31)26(35)22-7-6-19(17-14-18(33)16-27-15-17)20-4-2-3-5-21(20)22/h2-9,14-16,33H,10-13H2,1H3,(H,30,34).
What are the key properties of 6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide?
6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide has a molecular weight of 532.58 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(5-hydroxy-3-pyridinyl)naphthalene-1-carbonyl]piperazin-1-yl]-N-methylsulfonylpyridazine-3-carboxamide is sourced from PubChem (CID 169272209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).