ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate

C23H28N6O5 — CID 70157024

IUPACethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)CC1
InChIInChI=1S/C23H28N6O5/c1-2-34-23(32)28-8-6-14(7-9-28)19-18-20(26-25-19)15-4-3-5-16(17(15)21(18)30)24-22(31)27-29-10-12-33-13-11-29/h3-5,14,20H,2,6-13H2,1H3,(H2,24,27,31)
InChIKeyFDWXSJMHLMHFOR-UHFFFAOYSA-N
MW468.51 g/mol
LogP2.88
Rot. Bonds4

About ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate

ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate (PubChem CID 70157024) has the molecular formula C23H28N6O5 and a molecular weight of 468.51 g/mol. Its IUPAC name is ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate
PubChem CID70157024
Molecular FormulaC23H28N6O5
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Nameethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)CC1
InChIInChI=1S/C23H28N6O5/c1-2-34-23(32)28-8-6-14(7-9-28)19-18-20(26-25-19)15-4-3-5-16(17(15)21(18)30)24-22(31)27-29-10-12-33-13-11-29/h3-5,14,20H,2,6-13H2,1H3,(H2,24,27,31)
InChIKeyFDWXSJMHLMHFOR-UHFFFAOYSA-N
XLogP2.88
TPSA124.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate with MolForge

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Related Compounds

1-[3-[1-[4-(dimethylamino)piperidine-1-carbonyl]piperidin-4-yl]-4-oxo-8bH-indeno[1,2-c]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 70155406
tert-butyl 4-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-2H-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carbonyl]piperidine-1-carboxylate
CID 70154387
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-morpholin-4-yl-3-[4-oxo-3-[1-(thiophene-2-carbonyl)piperidin-4-yl]-2H-indeno[1,2-c]pyrazol-5-yl]urea
CID 70155822
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
2-(morpholin-4-ylcarbamoylamino)benzoic acid
CID 83020338
ethyl 4-(2,4-dihydroxyphenyl)piperidine-1-carboxylate
CID 46214205
1-(2-methoxy-5-methylphenyl)-3-morpholin-4-ylurea
CID 972139
ethyl 4-(4-naphthalen-1-ylpiperidin-1-yl)piperidine-1-carboxylate
CID 24770902
ethyl 4-[[2-(2-methylanilino)-2-oxoethyl]-methylsulfonylamino]piperidine-1-carboxylate
CID 113152680
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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate (CID 70157024) is ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C2=C3C(=O)c4c(NC(=O)NN5CCOCC5)cccc4C3N=N2)CC1.
What is the InChIKey of ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate?
The InChIKey is FDWXSJMHLMHFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O5/c1-2-34-23(32)28-8-6-14(7-9-28)19-18-20(26-25-19)15-4-3-5-16(17(15)21(18)30)24-22(31)27-29-10-12-33-13-11-29/h3-5,14,20H,2,6-13H2,1H3,(H2,24,27,31).
What are the key properties of ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate?
ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate has a molecular weight of 468.51 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-8bH-indeno[1,2-c]pyrazol-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 70157024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).