2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide

C29H37N5O3 — CID 118735385

IUPAC2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide
SMILESO=C(CC1(N2CCOCC2)CCCCC1)Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C29H37N5O3/c35-27(21-29(10-2-1-3-11-29)34-14-18-37-19-15-34)30-23-6-9-26-25(20-23)28(32-31-26)22-4-7-24(8-5-22)33-12-16-36-17-13-33/h4-9,20H,1-3,10-19,21H2,(H,30,35)(H,31,32)
InChIKeyWRAAWGXBFIGQKT-UHFFFAOYSA-N
MW503.65 g/mol
LogP4.43
Rot. Bonds6

About 2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide

2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide (PubChem CID 118735385) has the molecular formula C29H37N5O3 and a molecular weight of 503.65 g/mol. Its IUPAC name is 2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide
PubChem CID118735385
Molecular FormulaC29H37N5O3
Molecular Weight503.65 g/mol
Exact Mass503.29
IUPAC Name2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide
SMILESO=C(CC1(N2CCOCC2)CCCCC1)Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1
InChIInChI=1S/C29H37N5O3/c35-27(21-29(10-2-1-3-11-29)34-14-18-37-19-15-34)30-23-6-9-26-25(20-23)28(32-31-26)22-4-7-24(8-5-22)33-12-16-36-17-13-33/h4-9,20H,1-3,10-19,21H2,(H,30,35)(H,31,32)
InChIKeyWRAAWGXBFIGQKT-UHFFFAOYSA-N
XLogP4.43
TPSA82.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.65
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide?
The IUPAC name of 2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide (CID 118735385) is 2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide.
What is the SMILES notation for 2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide?
The canonical SMILES for 2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide is O=C(CC1(N2CCOCC2)CCCCC1)Nc1ccc2[nH]nc(-c3ccc(N4CCOCC4)cc3)c2c1.
What is the InChIKey of 2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide?
The InChIKey is WRAAWGXBFIGQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N5O3/c35-27(21-29(10-2-1-3-11-29)34-14-18-37-19-15-34)30-23-6-9-26-25(20-23)28(32-31-26)22-4-7-24(8-5-22)33-12-16-36-17-13-33/h4-9,20H,1-3,10-19,21H2,(H,30,35)(H,31,32).
What are the key properties of 2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide?
2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide has a molecular weight of 503.65 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-ylcyclohexyl)-N-[3-(4-morpholin-4-ylphenyl)-1H-indazol-5-yl]acetamide is sourced from PubChem (CID 118735385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).