1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide

C24H18N6O3 — CID 141497643

IUPAC1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ncnc5[nH]ccc45)cc3)ccc2=O)cc1
InChIInChI=1S/C24H18N6O3/c1-15-2-6-17(7-3-15)30-21(31)11-10-20(29-30)23(32)28-16-4-8-18(9-5-16)33-24-19-12-13-25-22(19)26-14-27-24/h2-14H,1H3,(H,28,32)(H,25,26,27)
InChIKeyGYUPMEUOLKBKDW-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.86
Rot. Bonds5

About 1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide

1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide (PubChem CID 141497643) has the molecular formula C24H18N6O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide
PubChem CID141497643
Molecular FormulaC24H18N6O3
Molecular Weight438.45 g/mol
Exact Mass438.14
IUPAC Name1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide
SMILESCc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ncnc5[nH]ccc45)cc3)ccc2=O)cc1
InChIInChI=1S/C24H18N6O3/c1-15-2-6-17(7-3-15)30-21(31)11-10-20(29-30)23(32)28-16-4-8-18(9-5-16)33-24-19-12-13-25-22(19)26-14-27-24/h2-14H,1H3,(H,28,32)(H,25,26,27)
InChIKeyGYUPMEUOLKBKDW-UHFFFAOYSA-N
XLogP3.86
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-fluorophenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide
CID 141497654
2,2,2-trifluoro-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]acetamide
CID 170214177
N-[4-(2-methoxyethoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 55657959
1-(4-bromophenyl)-4-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,8-naphthyridine-3-carboxamide
CID 155679209
1-(3-chloro-4-fluorophenyl)-4-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]-1,8-naphthyridine-3-carboxamide
CID 155679221
N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 52572154
2-[1-(4-methoxyphenyl)-6-oxopyridazin-3-yl]sulfanyl-N-(4-methylphenyl)acetamide
CID 20972759
6-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)-N-[4-(trifluoromethoxy)phenyl]naphthalene-1-carboxamide
CID 59813523
1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
CID 28603373
N-(4-methoxyphenyl)-4-[3-(4-methylphenyl)sulfanyl-6-oxopyridazin-1-yl]benzamide
CID 46323807
N-(3-methylphenyl)-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31853823
1-methyl-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 7914842

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide (CID 141497643) is 1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide is Cc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ncnc5[nH]ccc45)cc3)ccc2=O)cc1.
What is the InChIKey of 1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide?
The InChIKey is GYUPMEUOLKBKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O3/c1-15-2-6-17(7-3-15)30-21(31)11-10-20(29-30)23(32)28-16-4-8-18(9-5-16)33-24-19-12-13-25-22(19)26-14-27-24/h2-14H,1H3,(H,28,32)(H,25,26,27).
What are the key properties of 1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide?
1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-6-oxo-N-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yloxy)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 141497643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).