N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide

C31H41N7O4 — CID 166128980

IUPACN-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCC.COc1c(Nc2n[nH]c3ccccc23)ncnc1N1CC(C)OC(C)C1.COc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H22N6O2.C11H13NO2.C2H6/c1-11-8-24(9-12(2)26-11)18-15(25-3)17(19-10-20-18)21-16-13-6-4-5-7-14(13)22-23-16;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8;1-2/h4-7,10-12H,8-9H2,1-3H3,(H2,19,20,21,22,23);4-8H,2-3H2,1H3,(H,12,13);1-2H3
InChIKeyBVAYQKBUQMEVHA-UHFFFAOYSA-N
MW575.71 g/mol
LogP5.79
Rot. Bonds7

About N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide

N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide (PubChem CID 166128980) has the molecular formula C31H41N7O4 and a molecular weight of 575.71 g/mol. Its IUPAC name is N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide
PubChem CID166128980
Molecular FormulaC31H41N7O4
Molecular Weight575.71 g/mol
Exact Mass575.32
IUPAC NameN-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCC.COc1c(Nc2n[nH]c3ccccc23)ncnc1N1CC(C)OC(C)C1.COc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C18H22N6O2.C11H13NO2.C2H6/c1-11-8-24(9-12(2)26-11)18-15(25-3)17(19-10-20-18)21-16-13-6-4-5-7-14(13)22-23-16;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8;1-2/h4-7,10-12H,8-9H2,1-3H3,(H2,19,20,21,22,23);4-8H,2-3H2,1H3,(H,12,13);1-2H3
InChIKeyBVAYQKBUQMEVHA-UHFFFAOYSA-N
XLogP5.79
TPSA126.52 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.71
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128826
N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
CID 166129289
N-[5-methoxy-2-(oxetan-3-yl)pyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129181
N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128780
2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128442
N-(5-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methylphenyl)cyclopropanecarboxamide
CID 166129496
ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128483
ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129113
[5-(1H-indazol-3-ylamino)-6-methoxy-2-pyridinyl]-(2-oxa-6-azaspiro[3.3]heptan-6-yl)methanone;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129323
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129027
N-(4-methoxyphenyl)-1-(3-methyltriazolo[4,5-d]pyrimidin-7-yl)azetidine-3-carboxamide
CID 90557520

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The IUPAC name of N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide (CID 166128980) is N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide.
What is the SMILES notation for N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The canonical SMILES for N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide is CC.COc1c(Nc2n[nH]c3ccccc23)ncnc1N1CC(C)OC(C)C1.COc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The InChIKey is BVAYQKBUQMEVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O2.C11H13NO2.C2H6/c1-11-8-24(9-12(2)26-11)18-15(25-3)17(19-10-20-18)21-16-13-6-4-5-7-14(13)22-23-16;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8;1-2/h4-7,10-12H,8-9H2,1-3H3,(H2,19,20,21,22,23);4-8H,2-3H2,1H3,(H,12,13);1-2H3.
What are the key properties of N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide?
N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide has a molecular weight of 575.71 g/mol, XLogP of 5.79, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 166128980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).