ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate

C19H22N4O5 — CID 90314567

IUPACethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(cnn2CCCNC(=O)C2=C(O)C(=O)N(C)C2)c1
InChIInChI=1S/C19H22N4O5/c1-3-28-19(27)12-5-6-15-13(9-12)10-21-23(15)8-4-7-20-17(25)14-11-22(2)18(26)16(14)24/h5-6,9-10,24H,3-4,7-8,11H2,1-2H3,(H,20,25)
InChIKeyBPSYNRLOLXXHFK-UHFFFAOYSA-N
MW386.41 g/mol
LogP1.00
Rot. Bonds7

About ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate

ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate (PubChem CID 90314567) has the molecular formula C19H22N4O5 and a molecular weight of 386.41 g/mol. Its IUPAC name is ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate
PubChem CID90314567
Molecular FormulaC19H22N4O5
Molecular Weight386.41 g/mol
Exact Mass386.16
IUPAC Nameethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(cnn2CCCNC(=O)C2=C(O)C(=O)N(C)C2)c1
InChIInChI=1S/C19H22N4O5/c1-3-28-19(27)12-5-6-15-13(9-12)10-21-23(15)8-4-7-20-17(25)14-11-22(2)18(26)16(14)24/h5-6,9-10,24H,3-4,7-8,11H2,1-2H3,(H,20,25)
InChIKeyBPSYNRLOLXXHFK-UHFFFAOYSA-N
XLogP1.00
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate with MolForge

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Related Compounds

ethyl 1-(4-aminobutyl)indazole-5-carboxylate
CID 10659083
2-(5-ethoxycarbonylindazol-1-yl)acetic acid
CID 18388152
ethyl 1-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]indazole-5-carboxylate
CID 19084979
ethyl 1-[2-(5-oxo-3H-imidazo[1,2-a]pyrimidin-7-yl)ethyl]indazole-5-carboxylate
CID 70155485
1-[3-(dimethylamino)propyl]indazole-5-carboxamide
CID 22933619
ethyl 1-tritylindazole-5-carboxylate
CID 141079156
1-[3-(1H-imidazol-2-ylamino)propyl]indazole-5-carboxamide
CID 71192893
1-[3-(methylamino)propyl]indazol-5-amine
CID 142717359
ethyl 2-(1-methylindazol-5-yl)-2-oxoacetate
CID 86700316
ethyl 3-(tetradecylcarbamoyl)benzoate
CID 163748479
tert-butyl N-[3-(5-nitroindazol-1-yl)propyl]carbamate
CID 172610258
N-(3-indazol-1-ylpropyl)-6-oxo-1-phenylpyridine-3-carboxamide
CID 91954843

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate?
The IUPAC name of ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate (CID 90314567) is ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate?
The canonical SMILES for ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate is CCOC(=O)c1ccc2c(cnn2CCCNC(=O)C2=C(O)C(=O)N(C)C2)c1.
What is the InChIKey of ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate?
The InChIKey is BPSYNRLOLXXHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O5/c1-3-28-19(27)12-5-6-15-13(9-12)10-21-23(15)8-4-7-20-17(25)14-11-22(2)18(26)16(14)24/h5-6,9-10,24H,3-4,7-8,11H2,1-2H3,(H,20,25).
What are the key properties of ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate?
ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate has a molecular weight of 386.41 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(4-hydroxy-1-methyl-5-oxo-2H-pyrrole-3-carbonyl)amino]propyl]indazole-5-carboxylate is sourced from PubChem (CID 90314567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).