[4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

C25H27N5O3 — CID 50796471

IUPAC[4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCCCOc1ccc(-c2cc3c(N4CCN(C(=O)c5ccco5)CC4)nccn3n2)cc1
InChIInChI=1S/C25H27N5O3/c1-2-3-16-32-20-8-6-19(7-9-20)21-18-22-24(26-10-11-30(22)27-21)28-12-14-29(15-13-28)25(31)23-5-4-17-33-23/h4-11,17-18H,2-3,12-16H2,1H3
InChIKeyJHBPECDHSLEGQN-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.13
Rot. Bonds7

About [4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 50796471) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is [4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID50796471
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name[4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESCCCCOc1ccc(-c2cc3c(N4CCN(C(=O)c5ccco5)CC4)nccn3n2)cc1
InChIInChI=1S/C25H27N5O3/c1-2-3-16-32-20-8-6-19(7-9-20)21-18-22-24(26-10-11-30(22)27-21)28-12-14-29(15-13-28)25(31)23-5-4-17-33-23/h4-11,17-18H,2-3,12-16H2,1H3
InChIKeyJHBPECDHSLEGQN-UHFFFAOYSA-N
XLogP4.13
TPSA76.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-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-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 53333640
2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 45499247
[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 165434167
N-benzyl-1-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-methylpiperidine-4-carboxamide
CID 46346478
1-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 20962102
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 112855130
N-ethyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 39830660
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 16676781
N-ethyl-4-(furan-2-carbonyl)-N'-[3-(4-methylphenoxy)propyl]piperazine-1-carboximidamide
CID 111166431
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326
2-(3,4-dimethylphenyl)-5-[3-[4-(furan-2-carbonyl)piperazin-1-yl]-3-oxopropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 53332845

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone (CID 50796471) is [4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is CCCCOc1ccc(-c2cc3c(N4CCN(C(=O)c5ccco5)CC4)nccn3n2)cc1.
What is the InChIKey of [4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is JHBPECDHSLEGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-2-3-16-32-20-8-6-19(7-9-20)21-18-22-24(26-10-11-30(22)27-21)28-12-14-29(15-13-28)25(31)23-5-4-17-33-23/h4-11,17-18H,2-3,12-16H2,1H3.
What are the key properties of [4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 445.52 g/mol, XLogP of 4.13, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 50796471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).