1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

C18H21N5O4 — CID 41363693

IUPAC1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1)N1CCOCC1
InChIInChI=1S/C18H21N5O4/c24-16(15-13-3-1-2-4-14(13)19-20-15)21-5-7-22(8-6-21)17(25)18(26)23-9-11-27-12-10-23/h1-4H,5-12H2,(H,19,20)
InChIKeyMNFLMFAWXZTIGT-UHFFFAOYSA-N
MW371.40 g/mol
LogP-0.29
Rot. Bonds1

About 1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione

1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (PubChem CID 41363693) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
PubChem CID41363693
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
SMILESO=C(C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1)N1CCOCC1
InChIInChI=1S/C18H21N5O4/c24-16(15-13-3-1-2-4-14(13)19-20-15)21-5-7-22(8-6-21)17(25)18(26)23-9-11-27-12-10-23/h1-4H,5-12H2,(H,19,20)
InChIKeyMNFLMFAWXZTIGT-UHFFFAOYSA-N
XLogP-0.29
TPSA98.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone
CID 170858800
1H-indazol-3-yl-(4-phenylpiperazin-1-yl)methanone
CID 7595065
1H-indazol-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 9228509
(5-amino-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 54944614
3-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]propan-1-one
CID 170858311
(5-methyl-1H-indazol-3-yl)-morpholin-4-ylmethanone
CID 78869833
tert-butyl 4-(1H-indazole-3-carbonyl)piperazine-1-carboxylate
CID 31517577
1-(azepan-1-yl)-2-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]ethanone
CID 17407477
[4-(hydroxymethyl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 54878386
1H-indazol-3-yl-(4-phenylpiperidin-1-yl)methanone
CID 143724811
2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 170858444
(4-cyclopropyl-1,4-diazepan-1-yl)-(1H-indazol-3-yl)methanone
CID 49077810

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The IUPAC name of 1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione (CID 41363693) is 1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione.
What is the SMILES notation for 1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The canonical SMILES for 1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is O=C(C(=O)N1CCN(C(=O)c2n[nH]c3ccccc23)CC1)N1CCOCC1.
What is the InChIKey of 1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
The InChIKey is MNFLMFAWXZTIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4/c24-16(15-13-3-1-2-4-14(13)19-20-15)21-5-7-22(8-6-21)17(25)18(26)23-9-11-27-12-10-23/h1-4H,5-12H2,(H,19,20).
What are the key properties of 1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione?
1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione has a molecular weight of 371.40 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione is sourced from PubChem (CID 41363693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).