2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide

C25H26N6O2 — CID 122355152

IUPAC2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
SMILESCn1cc(CC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c2ccccc21
InChIInChI=1S/C25H26N6O2/c1-30-17-18(22-4-2-3-5-23(22)30)14-25(32)28-20-8-6-19(7-9-20)27-24-15-21(16-26-29-24)31-10-12-33-13-11-31/h2-9,15-17H,10-14H2,1H3,(H,27,29)(H,28,32)
InChIKeyKOFBMQANBFBUFU-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.73
Rot. Bonds6

About 2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide

2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide (PubChem CID 122355152) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
PubChem CID122355152
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide
SMILESCn1cc(CC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c2ccccc21
InChIInChI=1S/C25H26N6O2/c1-30-17-18(22-4-2-3-5-23(22)30)14-25(32)28-20-8-6-19(7-9-20)27-24-15-21(16-26-29-24)31-10-12-33-13-11-31/h2-9,15-17H,10-14H2,1H3,(H,27,29)(H,28,32)
InChIKeyKOFBMQANBFBUFU-UHFFFAOYSA-N
XLogP3.73
TPSA84.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]butanamide
CID 122354898
N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]pentanamide
CID 122354899
2-[1-[6-(4-morpholin-4-ylanilino)pyridazin-3-yl]indol-3-yl]-N-phenylacetamide
CID 117092988
1-(4-methoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354960
1-(4-ethoxyphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354979
1-(3-chloro-4-methylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354963
4-iodo-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122355270
1-(2,3-dimethylphenyl)-3-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]urea
CID 122354978
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354917
2,4-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354908
2,5-dimethyl-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]furan-3-carboxamide
CID 122355081
4-ethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354914

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide (CID 122355152) is 2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide is Cn1cc(CC(=O)Nc2ccc(Nc3cc(N4CCOCC4)cnn3)cc2)c2ccccc21.
What is the InChIKey of 2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide?
The InChIKey is KOFBMQANBFBUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-30-17-18(22-4-2-3-5-23(22)30)14-25(32)28-20-8-6-19(7-9-20)27-24-15-21(16-26-29-24)31-10-12-33-13-11-31/h2-9,15-17H,10-14H2,1H3,(H,27,29)(H,28,32).
What are the key properties of 2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide?
2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide has a molecular weight of 442.52 g/mol, XLogP of 3.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-3-yl)-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]acetamide is sourced from PubChem (CID 122355152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).