methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate

C26H26N6O3 — CID 121276037

IUPACmethyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(-c3ccc4c(cnn4C4CC4)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C26H26N6O3/c1-34-25(33)17-2-5-20(6-3-17)28-24-15-22(29-26(30-24)31-10-12-35-13-11-31)18-4-9-23-19(14-18)16-27-32(23)21-7-8-21/h2-6,9,14-16,21H,7-8,10-13H2,1H3,(H,28,29,30)
InChIKeyYSHNNNQEFWEYQP-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.20
Rot. Bonds6

About methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate

methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate (PubChem CID 121276037) has the molecular formula C26H26N6O3 and a molecular weight of 470.53 g/mol. Its IUPAC name is methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
PubChem CID121276037
Molecular FormulaC26H26N6O3
Molecular Weight470.53 g/mol
Exact Mass470.21
IUPAC Namemethyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cc(-c3ccc4c(cnn4C4CC4)c3)nc(N3CCOCC3)n2)cc1
InChIInChI=1S/C26H26N6O3/c1-34-25(33)17-2-5-20(6-3-17)28-24-15-22(29-26(30-24)31-10-12-35-13-11-31)18-4-9-23-19(14-18)16-27-32(23)21-7-8-21/h2-6,9,14-16,21H,7-8,10-13H2,1H3,(H,28,29,30)
InChIKeyYSHNNNQEFWEYQP-UHFFFAOYSA-N
XLogP4.20
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-[[6-(1-methylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121276049
methyl 4-[[6-[3-(2-methoxyethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 121272534
methyl 4-[[6-[3-[2-(dimethylamino)ethyl]benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate
CID 138656789
1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 159215910
N-ethyl-4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzamide
CID 121275797
3-methyl-1-[4-[[6-(1-methylindazol-6-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]phenyl]butan-1-one
CID 160707838
methyl 5-[[6-[1-(cyclopropylmethyl)benzimidazol-5-yl]-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
CID 121275971
methyl 5-[[6-(3-methylbenzimidazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]pyridine-2-carboxylate
CID 121276017
6-(6-amino-3-pyridinyl)-N-(6-methoxy-3-pyridinyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507565
methyl 4-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 112857139
ethyl 4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]benzoate
CID 659609
6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 59507868

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate (CID 121276037) is methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate is COC(=O)c1ccc(Nc2cc(-c3ccc4c(cnn4C4CC4)c3)nc(N3CCOCC3)n2)cc1.
What is the InChIKey of methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate?
The InChIKey is YSHNNNQEFWEYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3/c1-34-25(33)17-2-5-20(6-3-17)28-24-15-22(29-26(30-24)31-10-12-35-13-11-31)18-4-9-23-19(14-18)16-27-32(23)21-7-8-21/h2-6,9,14-16,21H,7-8,10-13H2,1H3,(H,28,29,30).
What are the key properties of methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate?
methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate has a molecular weight of 470.53 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(1-cyclopropylindazol-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]amino]benzoate is sourced from PubChem (CID 121276037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).