1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea

C24H21N5O3 — CID 158853273

IUPAC1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea
SMILESCCNC(=O)NC1=Nc2ccc(-c3coc(Cc4n[nH]c(=O)c5ccccc45)c3)cc2C1
InChIInChI=1S/C24H21N5O3/c1-2-25-24(31)27-22-11-15-9-14(7-8-20(15)26-22)16-10-17(32-13-16)12-21-18-5-3-4-6-19(18)23(30)29-28-21/h3-10,13H,2,11-12H2,1H3,(H,29,30)(H2,25,26,27,31)
InChIKeyIZSOSSMYIHYYSE-UHFFFAOYSA-N
MW427.46 g/mol
LogP3.68
Rot. Bonds4

About 1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea

1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea (PubChem CID 158853273) has the molecular formula C24H21N5O3 and a molecular weight of 427.46 g/mol. Its IUPAC name is 1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea
PubChem CID158853273
Molecular FormulaC24H21N5O3
Molecular Weight427.46 g/mol
Exact Mass427.16
IUPAC Name1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea
SMILESCCNC(=O)NC1=Nc2ccc(-c3coc(Cc4n[nH]c(=O)c5ccccc45)c3)cc2C1
InChIInChI=1S/C24H21N5O3/c1-2-25-24(31)27-22-11-15-9-14(7-8-20(15)26-22)16-10-17(32-13-16)12-21-18-5-3-4-6-19(18)23(30)29-28-21/h3-10,13H,2,11-12H2,1H3,(H,29,30)(H2,25,26,27,31)
InChIKeyIZSOSSMYIHYYSE-UHFFFAOYSA-N
XLogP3.68
TPSA112.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.46
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea with MolForge

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Related Compounds

1-ethyl-3-[6-[4-fluoro-2-methoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]urea
CID 160585947
1-ethyl-3-[6-[2-fluoro-5-[(7-methyl-4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]urea
CID 158872406
1-[2-(dimethylamino)ethyl]-3-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]urea
CID 148789385
methyl N-[6-[4-fluoro-3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate
CID 159542896
methyl N-[6-[2-ethoxy-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate
CID 159920353
oxetan-3-yl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate
CID 160737624
2,2-difluoroethyl N-[6-[2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-3H-indol-2-yl]carbamate
CID 159279664
N-[2-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]acetamide
CID 122191897
1-ethyl-3-[6-[2-fluoro-5-[(8-fluoro-4-oxo-3H-phthalazin-1-yl)methyl]phenyl]-1H-benzimidazol-2-yl]urea
CID 145426159
1-ethyl-3-(1H-indazol-3-yl)urea
CID 62687117
2-(4-oxo-3H-phthalazin-1-yl)-N-propylacetamide
CID 17394362
2-fluoro-5-[(4-oxo-3H-phthalazin-1-yl)methyl]-N,N-dipropylbenzamide
CID 134297763

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea?
The IUPAC name of 1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea (CID 158853273) is 1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea is CCNC(=O)NC1=Nc2ccc(-c3coc(Cc4n[nH]c(=O)c5ccccc45)c3)cc2C1.
What is the InChIKey of 1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea?
The InChIKey is IZSOSSMYIHYYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3/c1-2-25-24(31)27-22-11-15-9-14(7-8-20(15)26-22)16-10-17(32-13-16)12-21-18-5-3-4-6-19(18)23(30)29-28-21/h3-10,13H,2,11-12H2,1H3,(H,29,30)(H2,25,26,27,31).
What are the key properties of 1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea?
1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea has a molecular weight of 427.46 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[5-[(4-oxo-3H-phthalazin-1-yl)methyl]furan-3-yl]-3H-indol-2-yl]urea is sourced from PubChem (CID 158853273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).