1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea

C34H37N7O5 — CID 143160795

IUPAC1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea
SMILESO=C(Nc1cccc2c1C(=O)C1C(c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)=NNC21)NN1CCOCC1
InChIInChI=1S/C34H37N7O5/c42-28(40-15-13-39(14-16-40)21-23-5-2-1-3-6-23)22-46-25-11-9-24(10-12-25)31-30-32(37-36-31)26-7-4-8-27(29(26)33(30)43)35-34(44)38-41-17-19-45-20-18-41/h1-12,30,32,37H,13-22H2,(H2,35,38,44)
InChIKeyOYRULMFJTVSARQ-UHFFFAOYSA-N
MW623.71 g/mol
LogP2.64
Rot. Bonds8

About 1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea

1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea (PubChem CID 143160795) has the molecular formula C34H37N7O5 and a molecular weight of 623.71 g/mol. Its IUPAC name is 1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea.

Molecular Properties

Compound Name1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea
PubChem CID143160795
Molecular FormulaC34H37N7O5
Molecular Weight623.71 g/mol
Exact Mass623.29
IUPAC Name1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea
SMILESO=C(Nc1cccc2c1C(=O)C1C(c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)=NNC21)NN1CCOCC1
InChIInChI=1S/C34H37N7O5/c42-28(40-15-13-39(14-16-40)21-23-5-2-1-3-6-23)22-46-25-11-9-24(10-12-25)31-30-32(37-36-31)26-7-4-8-27(29(26)33(30)43)35-34(44)38-41-17-19-45-20-18-41/h1-12,30,32,37H,13-22H2,(H2,35,38,44)
InChIKeyOYRULMFJTVSARQ-UHFFFAOYSA-N
XLogP2.64
TPSA127.84 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500623.71
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea with MolForge

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Related Compounds

1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 11329770
ethyl 2-[4-[(2S)-4-(morpholin-4-ylcarbamoylamino)-1,3-dioxoindene-2-carbonyl]phenoxy]acetate
CID 143160800
1-[2-(4-ethoxybenzoyl)-1,3-dioxoinden-4-yl]-3-morpholin-4-ylurea
CID 70793127
1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 11285002
1-(4-benzylpiperazin-1-yl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 46266774
1-(4-benzylpiperazin-1-yl)-2-(3,5-dichlorophenoxy)ethanone
CID 22264923
1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-(4-morpholin-4-ylsulfonylphenoxy)ethanone
CID 55578358
1-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-2-phenoxyethanone;oxalic acid
CID 163329557
2-[4-(1,3-dibenzylimidazolidin-2-yl)phenoxy]-1-morpholin-4-ylethanone
CID 2892548
2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 58741117
2-phenoxy-1-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 2878469
1-[3-[4-[6-hydroxy-4-(2-hydroxyethyl)-3-methylidenehexoxy]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 143160799

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea?
The IUPAC name of 1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea (CID 143160795) is 1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea.
What is the SMILES notation for 1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea?
The canonical SMILES for 1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea is O=C(Nc1cccc2c1C(=O)C1C(c3ccc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3)=NNC21)NN1CCOCC1.
What is the InChIKey of 1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea?
The InChIKey is OYRULMFJTVSARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H37N7O5/c42-28(40-15-13-39(14-16-40)21-23-5-2-1-3-6-23)22-46-25-11-9-24(10-12-25)31-30-32(37-36-31)26-7-4-8-27(29(26)33(30)43)35-34(44)38-41-17-19-45-20-18-41/h1-12,30,32,37H,13-22H2,(H2,35,38,44).
What are the key properties of 1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea?
1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea has a molecular weight of 623.71 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]phenyl]-4-oxo-3a,8b-dihydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea is sourced from PubChem (CID 143160795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).