[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone

C19H20N8O3 — CID 121168327

IUPAC[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)CC1
InChIInChI=1S/C19H20N8O3/c28-18(24-3-5-25(6-4-24)19(29)15-2-1-7-30-15)14-9-26(10-14)16-8-17(22-12-21-16)27-13-20-11-23-27/h1-2,7-8,11-14H,3-6,9-10H2
InChIKeyJBEPVIVBWCDMAJ-UHFFFAOYSA-N
MW408.42 g/mol
LogP0.07
Rot. Bonds4

About [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone

[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone (PubChem CID 121168327) has the molecular formula C19H20N8O3 and a molecular weight of 408.42 g/mol. Its IUPAC name is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone
PubChem CID121168327
Molecular FormulaC19H20N8O3
Molecular Weight408.42 g/mol
Exact Mass408.17
IUPAC Name[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)CC1
InChIInChI=1S/C19H20N8O3/c28-18(24-3-5-25(6-4-24)19(29)15-2-1-7-30-15)14-9-26(10-14)16-8-17(22-12-21-16)27-13-20-11-23-27/h1-2,7-8,11-14H,3-6,9-10H2
InChIKeyJBEPVIVBWCDMAJ-UHFFFAOYSA-N
XLogP0.07
TPSA113.49 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-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-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-phenylpyrimidin-4-yl)azetidin-3-yl]methanone
CID 121018156
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-(6-pyrazol-1-ylpyrimidin-4-yl)piperidin-3-yl]methanone
CID 90520481
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]piperazin-1-yl]ethanone
CID 121168434
1-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carbonyl]piperidine-4-carboxamide
CID 121168325
[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone
CID 121168569
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 90600764
(4-phenylpiperazin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600264
1-[4-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carbonyl]piperazin-1-yl]ethanone
CID 90600379
[4-(2,3-dichlorophenyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-3-yl]methanone
CID 90600903
(4-benzylpiperidin-1-yl)-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidin-4-yl]methanone
CID 90600251
[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 70703030
[1-(6-pyrazol-1-ylpyrimidin-4-yl)azetidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 121168758

Frequently Asked Questions

What is the IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone?
The IUPAC name of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone (CID 121168327) is [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone.
What is the SMILES notation for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone?
The canonical SMILES for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)C2CN(c3cc(-n4cncn4)ncn3)C2)CC1.
What is the InChIKey of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone?
The InChIKey is JBEPVIVBWCDMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O3/c28-18(24-3-5-25(6-4-24)19(29)15-2-1-7-30-15)14-9-26(10-14)16-8-17(22-12-21-16)27-13-20-11-23-27/h1-2,7-8,11-14H,3-6,9-10H2.
What are the key properties of [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone?
[4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone has a molecular weight of 408.42 g/mol, XLogP of 0.07, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-2-carbonyl)piperazin-1-yl]-[1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidin-3-yl]methanone is sourced from PubChem (CID 121168327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).