2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide

C22H23N7O — CID 122288924

IUPAC2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
SMILESCn1cc(CC(=O)NCCNc2ccc(Nc3ccccn3)nn2)c2ccccc21
InChIInChI=1S/C22H23N7O/c1-29-15-16(17-6-2-3-7-18(17)29)14-22(30)25-13-12-24-20-9-10-21(28-27-20)26-19-8-4-5-11-23-19/h2-11,15H,12-14H2,1H3,(H,24,27)(H,25,30)(H,23,26,28)
InChIKeyJDWLZKXHCNLTOQ-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.88
Rot. Bonds8

About 2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide

2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (PubChem CID 122288924) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
PubChem CID122288924
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
SMILESCn1cc(CC(=O)NCCNc2ccc(Nc3ccccn3)nn2)c2ccccc21
InChIInChI=1S/C22H23N7O/c1-29-15-16(17-6-2-3-7-18(17)29)14-22(30)25-13-12-24-20-9-10-21(28-27-20)26-19-8-4-5-11-23-19/h2-11,15H,12-14H2,1H3,(H,24,27)(H,25,30)(H,23,26,28)
InChIKeyJDWLZKXHCNLTOQ-UHFFFAOYSA-N
XLogP2.88
TPSA96.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288805
2-(2-fluorophenyl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288882
2-(1-methylindol-3-yl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317256
N-[2-[[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]-2-naphthalen-1-ylacetamide
CID 122326850
2-cyclopropyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288891
N-(2-aminoethyl)-2-(1-methylindol-3-yl)acetamide
CID 82289252
N-[2-[[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]amino]ethyl]-2-(1-methylindol-3-yl)acetamide
CID 122290922
N-(2-methoxyethyl)-2-(1-methylindol-3-yl)acetamide
CID 3237946
4-iodo-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064919
1-phenyl-3-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]urea
CID 121064857
N-but-3-ynyl-2-(1-methylindol-3-yl)acetamide
CID 90537865
2-(3-methylphenoxy)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122288837

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide (CID 122288924) is 2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is Cn1cc(CC(=O)NCCNc2ccc(Nc3ccccn3)nn2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
The InChIKey is JDWLZKXHCNLTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-29-15-16(17-6-2-3-7-18(17)29)14-22(30)25-13-12-24-20-9-10-21(28-27-20)26-19-8-4-5-11-23-19/h2-11,15H,12-14H2,1H3,(H,24,27)(H,25,30)(H,23,26,28).
What are the key properties of 2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide?
2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide has a molecular weight of 401.47 g/mol, XLogP of 2.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]acetamide is sourced from PubChem (CID 122288924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).