1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one

C24H25N7O2 — CID 159059273

IUPAC1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one
SMILESCCC(=O)c1ccc(C)c(Nc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C24H25N7O2/c1-3-21(32)16-8-7-15(2)20(13-16)26-23-27-22(17-5-4-6-19-18(17)14-25-30-19)28-24(29-23)31-9-11-33-12-10-31/h4-8,13-14H,3,9-12H2,1-2H3,(H,25,30)(H,26,27,28,29)
InChIKeyJYGGVTQBYFAMDK-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.90
Rot. Bonds6

About 1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one

1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one (PubChem CID 159059273) has the molecular formula C24H25N7O2 and a molecular weight of 443.51 g/mol. Its IUPAC name is 1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one.

Molecular Properties

Compound Name1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one
PubChem CID159059273
Molecular FormulaC24H25N7O2
Molecular Weight443.51 g/mol
Exact Mass443.21
IUPAC Name1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one
SMILESCCC(=O)c1ccc(C)c(Nc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)c1
InChIInChI=1S/C24H25N7O2/c1-3-21(32)16-8-7-15(2)20(13-16)26-23-27-22(17-5-4-6-19-18(17)14-25-30-19)28-24(29-23)31-9-11-33-12-10-31/h4-8,13-14H,3,9-12H2,1-2H3,(H,25,30)(H,26,27,28,29)
InChIKeyJYGGVTQBYFAMDK-UHFFFAOYSA-N
XLogP3.90
TPSA108.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

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-[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
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
2-N-(2,5-dimethylphenyl)-6-morpholin-4-yl-4-N-phenyl-1,3,5-triazine-2,4-diamine
CID 39847761
ethyl 7-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methylamino]heptanoate
CID 66977493
ethyl 2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]benzoate;hydrochloride
CID 44899506
N-(5-chloro-2-methylphenyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine;hydrochloride
CID 45136694
N-hydroxy-2-[4-[[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-methylamino]methyl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 146262861
N-hydroxy-2-[[2-(1H-indazol-4-yl)-4-morpholin-4-yl-6,7-dihydrothieno[3,2-d]pyrimidin-6-yl]amino]pyrimidine-5-carboxamide
CID 89029485
4-[2-(1H-indazol-4-yl)-5-methyl-6-[(4-methylpiperazin-1-yl)methyl]pyrimidin-4-yl]morpholine
CID 71004484

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one?
The IUPAC name of 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) is 1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one.
What is the SMILES notation for 1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one?
The canonical SMILES for 1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one is CCC(=O)c1ccc(C)c(Nc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)n2)c1.
What is the InChIKey of 1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one?
The InChIKey is JYGGVTQBYFAMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O2/c1-3-21(32)16-8-7-15(2)20(13-16)26-23-27-22(17-5-4-6-19-18(17)14-25-30-19)28-24(29-23)31-9-11-33-12-10-31/h4-8,13-14H,3,9-12H2,1-2H3,(H,25,30)(H,26,27,28,29).
What are the key properties of 1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one?
1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one has a molecular weight of 443.51 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(1H-indazol-4-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]-4-methylphenyl]propan-1-one is sourced from PubChem (CID 159059273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).