furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone

C18H17N5O3 — CID 53087781

IUPACfuran-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C18H17N5O3/c24-17(14-3-10-26-12-14)22-6-8-23(9-7-22)18(25)16-11-15(20-21-16)13-1-4-19-5-2-13/h1-5,10-12H,6-9H2,(H,20,21)
InChIKeyJBKKKCLHODYVPN-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.66
Rot. Bonds3

About furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone

furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone (PubChem CID 53087781) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
PubChem CID53087781
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Namefuran-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1)N1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1
InChIInChI=1S/C18H17N5O3/c24-17(14-3-10-26-12-14)22-6-8-23(9-7-22)18(25)16-11-15(20-21-16)13-1-4-19-5-2-13/h1-5,10-12H,6-9H2,(H,20,21)
InChIKeyJBKKKCLHODYVPN-UHFFFAOYSA-N
XLogP1.66
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone with MolForge

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

Launch Full Analysis

Related Compounds

(4-tert-butylphenyl)-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087727
(3-chloro-4-fluorophenyl)-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087798
pyridin-2-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone
CID 53087752
[4-(4-chlorophenyl)piperazin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 22576732
N-[3-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazine-1-carbonyl]phenyl]furan-2-carboxamide
CID 53087736
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidin-4-yl]methanone
CID 53087557
(3-phenyl-1H-pyrazol-5-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058315
[(4R)-4-(dimethylamino)azepan-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 95722063
furan-3-yl-[4-(5-methyl-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]methanone
CID 44968162
(3-pyridin-4-yl-1H-pyrazol-5-yl)-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylmethanone
CID 163306291
N-cyclooctyl-1-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperidine-4-carboxamide
CID 53087505

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone (CID 53087781) is furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone is O=C(c1ccoc1)N1CCN(C(=O)c2cc(-c3ccncc3)n[nH]2)CC1.
What is the InChIKey of furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone?
The InChIKey is JBKKKCLHODYVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c24-17(14-3-10-26-12-14)22-6-8-23(9-7-22)18(25)16-11-15(20-21-16)13-1-4-19-5-2-13/h1-5,10-12H,6-9H2,(H,20,21).
What are the key properties of furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone?
furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone has a molecular weight of 351.37 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[4-(3-pyridin-4-yl-1H-pyrazole-5-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 53087781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).