N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide

C28H26N4O5 — CID 59606921

IUPACN-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1nn(CCc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12
InChIInChI=1S/C28H26N4O5/c33-27(29-21-9-10-24-25(17-21)37-18-36-24)26-22-3-1-2-4-23(22)32(30-26)12-11-19-5-7-20(8-6-19)28(34)31-13-15-35-16-14-31/h1-10,17H,11-16,18H2,(H,29,33)
InChIKeyIKGZDIOMDXSCEM-UHFFFAOYSA-N
MW498.54 g/mol
LogP3.73
Rot. Bonds6

About N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide

N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide (PubChem CID 59606921) has the molecular formula C28H26N4O5 and a molecular weight of 498.54 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide
PubChem CID59606921
Molecular FormulaC28H26N4O5
Molecular Weight498.54 g/mol
Exact Mass498.19
IUPAC NameN-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1nn(CCc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12
InChIInChI=1S/C28H26N4O5/c33-27(29-21-9-10-24-25(17-21)37-18-36-24)26-22-3-1-2-4-23(22)32(30-26)12-11-19-5-7-20(8-6-19)28(34)31-13-15-35-16-14-31/h1-10,17H,11-16,18H2,(H,29,33)
InChIKeyIKGZDIOMDXSCEM-UHFFFAOYSA-N
XLogP3.73
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.54
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-chlorophenyl)-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 53179916
N-(1,3-benzodioxol-5-ylmethyl)-1-hexylindazole-3-carboxamide
CID 170909402
N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]benzamide
CID 126472377
2-methyl-N-[1-[[4-(morpholine-4-carbonyl)phenyl]methyl]indazol-3-yl]propanamide
CID 126475376
2-[1-[[4-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)phenyl]methyl]indazol-3-yl]acetic acid
CID 71571942
N-(3-chlorophenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378667
N-benzyl-1-(2-morpholin-4-ylethyl)indazole-3-carboxamide
CID 53179909
N-(1,3-benzodioxol-5-yl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104512
4-N-(1,3-benzodioxol-5-yl)-1-N-benzylbenzene-1,4-dicarboxamide
CID 109046758
N-[6-(4-benzoylpiperazin-1-yl)-3-pyridinyl]-1,3-benzodioxole-5-carboxamide
CID 42850096
N-(3-acetamidophenyl)-4-(morpholine-4-carbonyl)benzamide
CID 109045524
[4-[4-(1,3-benzodioxol-5-ylmethylamino)piperidin-1-yl]phenyl]-morpholin-4-ylmethanone
CID 26361591

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide (CID 59606921) is N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1nn(CCc2ccc(C(=O)N3CCOCC3)cc2)c2ccccc12.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide?
The InChIKey is IKGZDIOMDXSCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N4O5/c33-27(29-21-9-10-24-25(17-21)37-18-36-24)26-22-3-1-2-4-23(22)32(30-26)12-11-19-5-7-20(8-6-19)28(34)31-13-15-35-16-14-31/h1-10,17H,11-16,18H2,(H,29,33).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide?
N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide has a molecular weight of 498.54 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1-[2-[4-(morpholine-4-carbonyl)phenyl]ethyl]indazole-3-carboxamide is sourced from PubChem (CID 59606921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).