furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone

C21H20N4O3S — CID 22517110

IUPACfuran-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c1-c1ccccc1SC2
InChIInChI=1S/C21H20N4O3S/c1-23-19-14-5-2-3-7-17(14)29-13-15(19)18(22-23)21(27)25-10-8-24(9-11-25)20(26)16-6-4-12-28-16/h2-7,12H,8-11,13H2,1H3
InChIKeyWPILLEUWJONHBL-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.88
Rot. Bonds2

About furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone

furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 22517110) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID22517110
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC Namefuran-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c1-c1ccccc1SC2
InChIInChI=1S/C21H20N4O3S/c1-23-19-14-5-2-3-7-17(14)29-13-15(19)18(22-23)21(27)25-10-8-24(9-11-25)20(26)16-6-4-12-28-16/h2-7,12H,8-11,13H2,1H3
InChIKeyWPILLEUWJONHBL-UHFFFAOYSA-N
XLogP2.88
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-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

3-(2-fluorophenyl)-5-{[4-(2-furoyl)piperazin-1-yl]carbonyl}-1-methyl-1H-thieno[2,3-c]pyrazole
CID 3243355
1-[5-(3-Methylfuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]-2-phenylethanone
CID 137659874
[1-[3-(furan-3-yl)phenyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 52950352
(7-methoxy-1-methyl-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl)-morpholin-4-ylmethanone
CID 52950386
[1-[(4-methoxyphenyl)methyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 52950432
furan-3-yl-[(3S)-3-[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]piperidin-1-yl]methanone
CID 66581178
methyl 5-[[3-(morpholine-4-carbonyl)-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-1-yl]methyl]furan-2-carboxylate
CID 66581204
N-(2-Ethoxyphenyl)-N-ethyl-1-methyl-1H,4H-thiochromeno[4,3-C]pyrazole-3-carboxamide
CID 22517159
[1-[(3-methoxyphenyl)methyl]-5,5-dioxo-4H-thiochromeno[3,4-d]pyrazol-3-yl]-morpholin-4-ylmethanone
CID 66581222
N-[(4-Fluorophenyl)methyl]-5-(furan-2-carbonyl)-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-3-carboxamide
CID 53066549
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-1-methyl-N-(thiophen-3-ylmethyl)-1H-pyrazole-5-carboxamide
CID 71796650
5-(Furan-2-carbonyl)-1-methyl-N-[(3-methylphenyl)methyl]-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-3-carboxamide
CID 53066513

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone (CID 22517110) is furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone is Cn1nc(C(=O)N2CCN(C(=O)c3ccco3)CC2)c2c1-c1ccccc1SC2.
What is the InChIKey of furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is WPILLEUWJONHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c1-23-19-14-5-2-3-7-17(14)29-13-15(19)18(22-23)21(27)25-10-8-24(9-11-25)20(26)16-6-4-12-28-16/h2-7,12H,8-11,13H2,1H3.
What are the key properties of furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone?
furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 408.48 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-(1-methyl-4H-thiochromeno[3,4-d]pyrazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 22517110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).