N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine

C27H31N7O3S — CID 166129289

IUPACN-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
SMILESCOc1ccc(NC(=O)C2CC2)cc1.COc1cnc(N2CCSCC2)nc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C16H18N6OS.C11H13NO2/c1-23-13-10-17-16(22-6-8-24-9-7-22)19-15(13)18-14-11-4-2-3-5-12(11)20-21-14;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h2-5,10H,6-9H2,1H3,(H2,17,18,19,20,21);4-8H,2-3H2,1H3,(H,12,13)
InChIKeyUBOIOYGSGMIACY-UHFFFAOYSA-N
MW533.66 g/mol
LogP4.70
Rot. Bonds7

About N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine

N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine (PubChem CID 166129289) has the molecular formula C27H31N7O3S and a molecular weight of 533.66 g/mol. Its IUPAC name is N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
PubChem CID166129289
Molecular FormulaC27H31N7O3S
Molecular Weight533.66 g/mol
Exact Mass533.22
IUPAC NameN-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine
SMILESCOc1ccc(NC(=O)C2CC2)cc1.COc1cnc(N2CCSCC2)nc1Nc1n[nH]c2ccccc12
InChIInChI=1S/C16H18N6OS.C11H13NO2/c1-23-13-10-17-16(22-6-8-24-9-7-22)19-15(13)18-14-11-4-2-3-5-12(11)20-21-14;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h2-5,10H,6-9H2,1H3,(H2,17,18,19,20,21);4-8H,2-3H2,1H3,(H,12,13)
InChIKeyUBOIOYGSGMIACY-UHFFFAOYSA-N
XLogP4.70
TPSA117.29 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.66
LogP ≤ 54.70
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-(5-chloro-2-morpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128780
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
2-[5-(1H-indazol-3-ylamino)-6-methoxypyrazin-2-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166128442
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
ethane;2-[4-(1H-indazol-3-ylamino)-3-methoxypyrazol-1-yl]ethanol;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129113
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
N-(4-methoxyphenyl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53107326
[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
ethane;1H-indazole;N-(4-methoxyphenyl)cyclopropanecarboxamide
CID 166129027

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine?
The IUPAC name of N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine (CID 166129289) is N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine.
What is the SMILES notation for N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine?
The canonical SMILES for N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine is COc1ccc(NC(=O)C2CC2)cc1.COc1cnc(N2CCSCC2)nc1Nc1n[nH]c2ccccc12.
What is the InChIKey of N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine?
The InChIKey is UBOIOYGSGMIACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6OS.C11H13NO2/c1-23-13-10-17-16(22-6-8-24-9-7-22)19-15(13)18-14-11-4-2-3-5-12(11)20-21-14;1-14-10-6-4-9(5-7-10)12-11(13)8-2-3-8/h2-5,10H,6-9H2,1H3,(H2,17,18,19,20,21);4-8H,2-3H2,1H3,(H,12,13).
What are the key properties of N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine?
N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine has a molecular weight of 533.66 g/mol, XLogP of 4.70, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)cyclopropanecarboxamide;N-(5-methoxy-2-thiomorpholin-4-ylpyrimidin-4-yl)-1H-indazol-3-amine is sourced from PubChem (CID 166129289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).