2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide

C25H28N6O4 — CID 166128442

IUPAC2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)cc1.COc1nc(CCO)cnc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C14H15N5O2.C11H13NO2/c1-21-14-13(15-8-9(16-14)6-7-20)17-12-10-4-2-3-5-11(10)18-19-12;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h2-5,8,20H,6-7H2,1H3,(H2,15,17,18,19);4-8H,2-3H2,1H3,(H,12,13)
InChIKeyJFMOQZJLTPRIBC-UHFFFAOYSA-N
MW476.54 g/mol
LogP3.68
Rot. Bonds8

About 2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide

2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide (PubChem CID 166128442) has the molecular formula C25H28N6O4 and a molecular weight of 476.54 g/mol. Its IUPAC name is 2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide.

Molecular Properties

Compound Name2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
PubChem CID166128442
Molecular FormulaC25H28N6O4
Molecular Weight476.54 g/mol
Exact Mass476.22
IUPAC Name2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
SMILESCOc1ccc(NC(=O)C2CC2)cc1.COc1nc(CCO)cnc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C14H15N5O2.C11H13NO2/c1-21-14-13(15-8-9(16-14)6-7-20)17-12-10-4-2-3-5-11(10)18-19-12;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h2-5,8,20H,6-7H2,1H3,(H2,15,17,18,19);4-8H,2-3H2,1H3,(H,12,13)
InChIKeyJFMOQZJLTPRIBC-UHFFFAOYSA-N
XLogP3.68
TPSA134.28 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.54
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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-(5-methoxy-2-methylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methylphenyl)cyclopropanecarboxamide
CID 166129496
N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
CID 166129289
N-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128780
N-[6-(2,6-dimethylmorpholin-4-yl)-5-methoxypyrimidin-4-yl]-1H-indazol-3-amine;ethane;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128980
ethane;2-fluoro-4-(1H-indazol-3-ylamino)-5-methoxy-N,N-dimethylbenzamide;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128483
[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-(3-methoxy-6-methylpyrazin-2-yl)-1H-indazol-3-amine
CID 166129287

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The IUPAC name of 2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide (CID 166128442) is 2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide.
What is the SMILES notation for 2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The canonical SMILES for 2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide is COc1ccc(NC(=O)C2CC2)cc1.COc1nc(CCO)cnc1Nc1n[nH]c2ccccc12.
What is the InChIKey of 2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide?
The InChIKey is JFMOQZJLTPRIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2.C11H13NO2/c1-21-14-13(15-8-9(16-14)6-7-20)17-12-10-4-2-3-5-11(10)18-19-12;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h2-5,8,20H,6-7H2,1H3,(H2,15,17,18,19);4-8H,2-3H2,1H3,(H,12,13).
What are the key properties of 2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide?
2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide has a molecular weight of 476.54 g/mol, XLogP of 3.68, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide is sourced from PubChem (CID 166128442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).