N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide

C27H24N6O — CID 70703876

IUPACN-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide
SMILESCc1nn(-c2ccc(Nc3ccc(NC(=O)c4cccc5ccccc45)cc3)nn2)c(C)c1C
InChIInChI=1S/C27H24N6O/c1-17-18(2)32-33(19(17)3)26-16-15-25(30-31-26)28-21-11-13-22(14-12-21)29-27(34)24-10-6-8-20-7-4-5-9-23(20)24/h4-16H,1-3H3,(H,28,30)(H,29,34)
InChIKeyUMLTYYQKFDNUKT-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.74
Rot. Bonds5

About N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide

N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide (PubChem CID 70703876) has the molecular formula C27H24N6O and a molecular weight of 448.53 g/mol. Its IUPAC name is N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide
PubChem CID70703876
Molecular FormulaC27H24N6O
Molecular Weight448.53 g/mol
Exact Mass448.20
IUPAC NameN-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide
SMILESCc1nn(-c2ccc(Nc3ccc(NC(=O)c4cccc5ccccc45)cc3)nn2)c(C)c1C
InChIInChI=1S/C27H24N6O/c1-17-18(2)32-33(19(17)3)26-16-15-25(30-31-26)28-21-11-13-22(14-12-21)29-27(34)24-10-6-8-20-7-4-5-9-23(20)24/h4-16H,1-3H3,(H,28,30)(H,29,34)
InChIKeyUMLTYYQKFDNUKT-UHFFFAOYSA-N
XLogP5.74
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-ethylphenyl)-3-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]urea
CID 56919860
(E)-3-(4-chlorophenyl)-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]prop-2-enamide
CID 122292359
2-bromo-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122306101
2-chloro-N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]benzamide
CID 122305771
2,6-difluoro-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292392
3-acetyl-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292389
N-(6-anilino-3-pyridinyl)naphthalene-1-carboxamide
CID 110178232
N-[[5-[[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]sulfamoyl]thiophen-2-yl]methyl]acetamide
CID 122292418
2-bromo-N-[4-[2-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]benzamide
CID 122311060
N-(4-iodophenyl)naphthalene-1-carboxamide
CID 1019200
N-[4-[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]acetamide
CID 122305742
4-cyano-N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]benzenesulfonamide
CID 122292428

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide?
The IUPAC name of N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide (CID 70703876) is N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide is Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4cccc5ccccc45)cc3)nn2)c(C)c1C.
What is the InChIKey of N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide?
The InChIKey is UMLTYYQKFDNUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O/c1-17-18(2)32-33(19(17)3)26-16-15-25(30-31-26)28-21-11-13-22(14-12-21)29-27(34)24-10-6-8-20-7-4-5-9-23(20)24/h4-16H,1-3H3,(H,28,30)(H,29,34).
What are the key properties of N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide?
N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide has a molecular weight of 448.53 g/mol, XLogP of 5.74, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 70703876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).