5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide

C27H33N5O4 — CID 110200246

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC(=O)N3CCCCCNC(=O)CC3c3ccccc3)o2)n1
InChIInChI=1S/C27H33N5O4/c1-19-15-20(2)32(30-19)18-22-11-12-24(36-22)27(35)29-17-26(34)31-14-8-4-7-13-28-25(33)16-23(31)21-9-5-3-6-10-21/h3,5-6,9-12,15,23H,4,7-8,13-14,16-18H2,1-2H3,(H,28,33)(H,29,35)
InChIKeyABFCGCCIERRFCS-UHFFFAOYSA-N
MW491.59 g/mol
LogP3.13
Rot. Bonds6

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide (PubChem CID 110200246) has the molecular formula C27H33N5O4 and a molecular weight of 491.59 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide
PubChem CID110200246
Molecular FormulaC27H33N5O4
Molecular Weight491.59 g/mol
Exact Mass491.25
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)NCC(=O)N3CCCCCNC(=O)CC3c3ccccc3)o2)n1
InChIInChI=1S/C27H33N5O4/c1-19-15-20(2)32(30-19)18-22-11-12-24(36-22)27(35)29-17-26(34)31-14-8-4-7-13-28-25(33)16-23(31)21-9-5-3-6-10-21/h3,5-6,9-12,15,23H,4,7-8,13-14,16-18H2,1-2H3,(H,28,33)(H,29,35)
InChIKeyABFCGCCIERRFCS-UHFFFAOYSA-N
XLogP3.13
TPSA109.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.59
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide (CID 110200246) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)NCC(=O)N3CCCCCNC(=O)CC3c3ccccc3)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide?
The InChIKey is ABFCGCCIERRFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O4/c1-19-15-20(2)32(30-19)18-22-11-12-24(36-22)27(35)29-17-26(34)31-14-8-4-7-13-28-25(33)16-23(31)21-9-5-3-6-10-21/h3,5-6,9-12,15,23H,4,7-8,13-14,16-18H2,1-2H3,(H,28,33)(H,29,35).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide has a molecular weight of 491.59 g/mol, XLogP of 3.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[2-oxo-2-(4-oxo-2-phenyl-1,5-diazecan-1-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 110200246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).