methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate

C24H26N4O6 — CID 19338688

IUPACmethyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(=O)Nc3cnn(C)c3C(=O)N3CCCCC3)o2)cc1
InChIInChI=1S/C24H26N4O6/c1-27-21(23(30)28-12-4-3-5-13-28)19(14-25-27)26-22(29)20-11-10-18(34-20)15-33-17-8-6-16(7-9-17)24(31)32-2/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,26,29)
InChIKeyDTJUQESSNORBOI-UHFFFAOYSA-N
MW466.49 g/mol
LogP3.26
Rot. Bonds7

About methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate

methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate (PubChem CID 19338688) has the molecular formula C24H26N4O6 and a molecular weight of 466.49 g/mol. Its IUPAC name is methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
PubChem CID19338688
Molecular FormulaC24H26N4O6
Molecular Weight466.49 g/mol
Exact Mass466.19
IUPAC Namemethyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2ccc(C(=O)Nc3cnn(C)c3C(=O)N3CCCCC3)o2)cc1
InChIInChI=1S/C24H26N4O6/c1-27-21(23(30)28-12-4-3-5-13-28)19(14-25-27)26-22(29)20-11-10-18(34-20)15-33-17-8-6-16(7-9-17)24(31)32-2/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,26,29)
InChIKeyDTJUQESSNORBOI-UHFFFAOYSA-N
XLogP3.26
TPSA115.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate with MolForge

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Related Compounds

N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19337030
5-[(2,5-dimethylphenoxy)methyl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]furan-2-carboxamide
CID 19337014
methyl 1-methyl-4-[[5-[(4-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342126
methyl 4-[[5-[[5-(dimethylcarbamoyl)-1-ethylpyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19584630
methyl 1-methyl-4-[[5-[(3-methyl-4-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342224
5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide
CID 19451030
methyl 4-[[5-(cyclododecylcarbamoyl)furan-2-yl]methoxy]benzoate
CID 17024109
methyl 1-ethyl-4-[[5-[(4-methoxycarbonylphenoxy)methyl]furan-2-carbonyl]amino]pyrazole-3-carboxylate
CID 19449114
methyl 1-methyl-4-[[5-[(2,4,6-trichlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxylate
CID 19342140
2-[(4-chlorophenoxy)methyl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19338784
methyl 4-[[5-[[2-(trifluoromethyl)phenyl]carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448946
methyl 4-[[5-[(5-chloro-2-hydroxyphenyl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448963

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate (CID 19338688) is methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate is COC(=O)c1ccc(OCc2ccc(C(=O)Nc3cnn(C)c3C(=O)N3CCCCC3)o2)cc1.
What is the InChIKey of methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
The InChIKey is DTJUQESSNORBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O6/c1-27-21(23(30)28-12-4-3-5-13-28)19(14-25-27)26-22(29)20-11-10-18(34-20)15-33-17-8-6-16(7-9-17)24(31)32-2/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,26,29).
What are the key properties of methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate?
methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate has a molecular weight of 466.49 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-[[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]carbamoyl]furan-2-yl]methoxy]benzoate is sourced from PubChem (CID 19338688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).