N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide

C25H27N7O2 — CID 121275797

IUPACN-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
SMILESCCNC(=O)c1ccc(Nc2cc(-c3ccc4cnn(C)c4c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C25H27N7O2/c1-3-26-24(33)17-6-8-20(9-7-17)28-23-15-21(29-25(30-23)32-10-12-34-13-11-32)18-4-5-19-16-27-31(2)22(19)14-18/h4-9,14-16H,3,10-13H2,1-2H3,(H,26,33)(H,28,29,30)
InChIKeyDSDLHABLVALPIB-UHFFFAOYSA-N
MW457.54 g/mol
LogP3.36
Rot. Bonds6

About N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide

N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide (PubChem CID 121275797) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
PubChem CID121275797
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC NameN-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
SMILESCCNC(=O)c1ccc(Nc2cc(-c3ccc4cnn(C)c4c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C25H27N7O2/c1-3-26-24(33)17-6-8-20(9-7-17)28-23-15-21(29-25(30-23)32-10-12-34-13-11-32)18-4-5-19-16-27-31(2)22(19)14-18/h4-9,14-16H,3,10-13H2,1-2H3,(H,26,33)(H,28,29,30)
InChIKeyDSDLHABLVALPIB-UHFFFAOYSA-N
XLogP3.36
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 159215910
3-methyl-1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 160707838
methyl 4-[[6-(1-methylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121276049
6-(1-methylindazol-6-yl)-2-morpholin-4-yl-N-[4-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]phenyl]pyrimidin-4-amine
CID 121272367
tert-butyl 2-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]pyrrole-1-carboxylate
CID 121272392
N-(4-chlorophenyl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)-2-morpholin-4-ylpyrimidin-4-amine
CID 121272441
methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121276037
methyl 4-[[6-[3-(2-methoxyethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121272534
4-[[6-[3-[3-(dimethylamino)propyl]benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]-N-methylbenzamide
CID 121272490
4-[[2-morpholin-4-yl-6-[3-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]pyrimidin-4-yl]amino]benzoic acid
CID 121275994
methyl 4-[[6-[3-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 138656789
methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
CID 121276017

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide?
The IUPAC name of N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide (CID 121275797) is N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide.
What is the SMILES notation for N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide?
The canonical SMILES for N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide is CCNC(=O)c1ccc(Nc2cc(-c3ccc4cnn(C)c4c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide?
The InChIKey is DSDLHABLVALPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c1-3-26-24(33)17-6-8-20(9-7-17)28-23-15-21(29-25(30-23)32-10-12-34-13-11-32)18-4-5-19-16-27-31(2)22(19)14-18/h4-9,14-16H,3,10-13H2,1-2H3,(H,26,33)(H,28,29,30).
What are the key properties of N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide?
N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide has a molecular weight of 457.54 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide is sourced from PubChem (CID 121275797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).