4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide

C25H27N7O3 — CID 122658911

IUPAC4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
SMILESCC1COCC(C)N1c1nc(Oc2ccc(C(=O)N(C)C)cc2)nc(-c2cccc3[nH]ncc23)n1
InChIInChI=1S/C25H27N7O3/c1-15-13-34-14-16(2)32(15)24-27-22(19-6-5-7-21-20(19)12-26-30-21)28-25(29-24)35-18-10-8-17(9-11-18)23(33)31(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,26,30)
InChIKeyQAAGGTBUAJJWCU-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.52
Rot. Bonds5

About 4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide

4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide (PubChem CID 122658911) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
PubChem CID122658911
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
SMILESCC1COCC(C)N1c1nc(Oc2ccc(C(=O)N(C)C)cc2)nc(-c2cccc3[nH]ncc23)n1
InChIInChI=1S/C25H27N7O3/c1-15-13-34-14-16(2)32(15)24-27-22(19-6-5-7-21-20(19)12-26-30-21)28-25(29-24)35-18-10-8-17(9-11-18)23(33)31(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,26,30)
InChIKeyQAAGGTBUAJJWCU-UHFFFAOYSA-N
XLogP3.52
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide with MolForge

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Related Compounds

N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide
CID 122659146
4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylpiperidine-1-carboxamide
CID 72950095
6-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-3,4-dihydro-1H-quinolin-2-one
CID 72950094
3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzonitrile
CID 122658897
4-[[4-(2-amino-1,3-thiazol-5-yl)-6-(2,5-dimethylmorpholin-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
CID 72950935
4-[[4-[(2S)-2,5-dimethylmorpholin-4-yl]-6-(1H-indazol-5-yl)-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
CID 72948665
N,N-dimethyl-4-[[4-[2-(methylamino)-1H-imidazol-5-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzamide
CID 122658952
4-[[4-[(3S)-3-ethylmorpholin-4-yl]-6-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
CID 144559101
1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one
CID 159059273
4-[[(2S)-1-acetyl-6-(5-cyclopropyl-1H-pyrazol-4-yl)-2-methyl-3,4-dihydro-2H-quinolin-5-yl]oxy]-N,N-dimethylbenzamide
CID 138584286
4-[[4-(6-amino-3-pyridinyl)-6-[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
CID 72949573
4-[[4-[6-amino-4-(trifluoromethyl)-3-pyridinyl]-6-[(3S)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-yl]oxy]-3-fluoro-N,N-dimethylbenzamide
CID 72948845

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide (CID 122658911) is 4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide is CC1COCC(C)N1c1nc(Oc2ccc(C(=O)N(C)C)cc2)nc(-c2cccc3[nH]ncc23)n1.
What is the InChIKey of 4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide?
The InChIKey is QAAGGTBUAJJWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-15-13-34-14-16(2)32(15)24-27-22(19-6-5-7-21-20(19)12-26-30-21)28-25(29-24)35-18-10-8-17(9-11-18)23(33)31(3)4/h5-12,15-16H,13-14H2,1-4H3,(H,26,30).
What are the key properties of 4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide?
4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide has a molecular weight of 473.54 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide is sourced from PubChem (CID 122658911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).