2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide

C30H28N6O2 — CID 117092988

IUPAC2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide
SMILESO=C(Cc1cn(-c2ccc(Nc3ccc(N4CCOCC4)cc3)nn2)c2ccccc12)Nc1ccccc1
InChIInChI=1S/C30H28N6O2/c37-30(32-23-6-2-1-3-7-23)20-22-21-36(27-9-5-4-8-26(22)27)29-15-14-28(33-34-29)31-24-10-12-25(13-11-24)35-16-18-38-19-17-35/h1-15,21H,16-20H2,(H,31,33)(H,32,37)
InChIKeyMJZJOWGZFWPLJM-UHFFFAOYSA-N
MW504.59 g/mol
LogP5.18
Rot. Bonds7

About 2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide

2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide (PubChem CID 117092988) has the molecular formula C30H28N6O2 and a molecular weight of 504.59 g/mol. Its IUPAC name is 2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide
PubChem CID117092988
Molecular FormulaC30H28N6O2
Molecular Weight504.59 g/mol
Exact Mass504.23
IUPAC Name2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide
SMILESO=C(Cc1cn(-c2ccc(Nc3ccc(N4CCOCC4)cc3)nn2)c2ccccc12)Nc1ccccc1
InChIInChI=1S/C30H28N6O2/c37-30(32-23-6-2-1-3-7-23)20-22-21-36(27-9-5-4-8-26(22)27)29-15-14-28(33-34-29)31-24-10-12-25(13-11-24)35-16-18-38-19-17-35/h1-15,21H,16-20H2,(H,31,33)(H,32,37)
InChIKeyMJZJOWGZFWPLJM-UHFFFAOYSA-N
XLogP5.18
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.59
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-morpholin-4-ylphenyl)-2-[1-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]indol-3-yl]acetamide
CID 117082923
N-(4-morpholin-4-ylphenyl)-2-[1-[6-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridazin-3-yl]indol-3-yl]acetamide
CID 117087098
2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
CID 122355152
N-(4-acetamidophenyl)-2-[1-[6-(quinolin-6-ylamino)pyridazin-3-yl]indol-3-yl]acetamide
CID 117086468
N-[4-[(6-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 6457766
N-(6-morpholin-4-ylpyridazin-3-yl)-2-phenylacetamide
CID 113039672
N-(4-morpholin-4-ylphenyl)-4-[(6-phenylpyridazin-3-yl)amino]benzamide
CID 50776985
2-[1-[6-[3-(dimethylamino)anilino]pyridazin-3-yl]indol-3-yl]-N-propylacetamide
CID 117085115
2-(1,2-benzoxazol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
CID 35148080
N-(4-morpholin-4-ylphenyl)-2-(4-phenyl-1,3-thiazol-5-yl)acetamide
CID 166351501
2-[4-methyl-5-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylacetamide
CID 3164715
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide (CID 117092988) is 2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide is O=C(Cc1cn(-c2ccc(Nc3ccc(N4CCOCC4)cc3)nn2)c2ccccc12)Nc1ccccc1.
What is the InChIKey of 2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide?
The InChIKey is MJZJOWGZFWPLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N6O2/c37-30(32-23-6-2-1-3-7-23)20-22-21-36(27-9-5-4-8-26(22)27)29-15-14-28(33-34-29)31-24-10-12-25(13-11-24)35-16-18-38-19-17-35/h1-15,21H,16-20H2,(H,31,33)(H,32,37).
What are the key properties of 2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide?
2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide has a molecular weight of 504.59 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 117092988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).