N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide

C24H25N7O3 — CID 122659146

IUPACN-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Oc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C24H25N7O3/c1-15(2)22(32)26-16-6-8-17(9-7-16)34-24-28-21(18-4-3-5-20-19(18)14-25-30-20)27-23(29-24)31-10-12-33-13-11-31/h3-9,14-15H,10-13H2,1-2H3,(H,25,30)(H,26,32)
InChIKeyCSQKHVHKBQBBDY-UHFFFAOYSA-N
MW459.51 g/mol
LogP3.64
Rot. Bonds6

About N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide

N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide (PubChem CID 122659146) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide
PubChem CID122659146
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC NameN-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(Oc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C24H25N7O3/c1-15(2)22(32)26-16-6-8-17(9-7-16)34-24-28-21(18-4-3-5-20-19(18)14-25-30-20)27-23(29-24)31-10-12-33-13-11-31/h3-9,14-15H,10-13H2,1-2H3,(H,25,30)(H,26,32)
InChIKeyCSQKHVHKBQBBDY-UHFFFAOYSA-N
XLogP3.64
TPSA118.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]-N,N-dimethylpiperidine-1-carboxamide
CID 72950095
3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]benzonitrile
CID 122658897
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
4-[[4-(3,5-dimethylmorpholin-4-yl)-6-(1H-indazol-4-yl)-1,3,5-triazin-2-yl]oxy]-N,N-dimethylbenzamide
CID 122658911
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-[4-(1H-indazol-4-yl)-6-[4-methyl-5-(morpholin-4-ylmethyl)thiophen-2-yl]-1,3,5-triazin-2-yl]morpholine
CID 172750261
N-[2-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]propan-2-yl]-4-methoxybenzamide
CID 59593151
2-methyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]propanamide
CID 53047890
1-[4-[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidine-6-carbonyl]piperazin-1-yl]ethanone
CID 59593152
2-hydroxy-1-[4-[[4-(1H-indazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one
CID 123710328
(2S)-2-hydroxy-1-[4-[[4-(1H-indazol-4-yl)-2-morpholin-4-ylthieno[3,2-d]pyrimidin-7-yl]methyl]piperazin-1-yl]propan-1-one
CID 71811704
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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide (CID 122659146) is N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(Oc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide?
The InChIKey is CSQKHVHKBQBBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-15(2)22(32)26-16-6-8-17(9-7-16)34-24-28-21(18-4-3-5-20-19(18)14-25-30-20)27-23(29-24)31-10-12-33-13-11-31/h3-9,14-15H,10-13H2,1-2H3,(H,25,30)(H,26,32).
What are the key properties of N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide?
N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide has a molecular weight of 459.51 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]oxy]phenyl]-2-methylpropanamide is sourced from PubChem (CID 122659146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).