ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide

C30H36FN5O4 — CID 166128483

IUPACethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCC.COc1cc(C(=O)N(C)C)c(F)cc1Nc1n[nH]c2ccccc12.COc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H17FN4O2.C11H13NO2.C2H6/c1-22(2)17(23)11-8-15(24-3)14(9-12(11)18)19-16-10-6-4-5-7-13(10)20-21-16;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8;1-2/h4-9H,1-3H3,(H2,19,20,21);4-8H,2-3H2,1H3,(H,12,13);1-2H3
InChIKeyQUOWBJKSYOSWIA-UHFFFAOYSA-N
MW549.65 g/mol
LogP6.23
Rot. Bonds7

About ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide

ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide (PubChem CID 166128483) has the molecular formula C30H36FN5O4 and a molecular weight of 549.65 g/mol. Its IUPAC name is ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound Nameethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide
PubChem CID166128483
Molecular FormulaC30H36FN5O4
Molecular Weight549.65 g/mol
Exact Mass549.28
IUPAC Nameethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCC.COc1cc(C(=O)N(C)C)c(F)cc1Nc1n[nH]c2ccccc12.COc1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C17H17FN4O2.C11H13NO2.C2H6/c1-22(2)17(23)11-8-15(24-3)14(9-12(11)18)19-16-10-6-4-5-7-13(10)20-21-16;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8;1-2/h4-9H,1-3H3,(H2,19,20,21);4-8H,2-3H2,1H3,(H,12,13);1-2H3
InChIKeyQUOWBJKSYOSWIA-UHFFFAOYSA-N
XLogP6.23
TPSA108.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.65
LogP ≤ 56.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129113
N-[2-(azetidin-1-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128826
N-[5-methoxy-2-(oxetan-3-yl)pyrimidin-4-yl]-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129181
N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
CID 166129289
N-(5-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methylphenyl)cyclopropanecarboxamide
CID 166129496
2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128442
[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
N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128980
ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129027
N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128780
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The IUPAC name of ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide (CID 166128483) is ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide.
What is the SMILES notation for ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The canonical SMILES for ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide is CC.COc1cc(C(=O)N(C)C)c(F)cc1Nc1n[nH]c2ccccc12.COc1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The InChIKey is QUOWBJKSYOSWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2.C11H13NO2.C2H6/c1-22(2)17(23)11-8-15(24-3)14(9-12(11)18)19-16-10-6-4-5-7-13(10)20-21-16;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8;1-2/h4-9H,1-3H3,(H2,19,20,21);4-8H,2-3H2,1H3,(H,12,13);1-2H3.
What are the key properties of ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide?
ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide has a molecular weight of 549.65 g/mol, XLogP of 6.23, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 166128483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).