pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone

C25H23N5OS — CID 69199030

IUPACpyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCN(Cc2ccc3c(c2)Cc2c(-c4ccsc4)n[nH]c2-3)CC1
InChIInChI=1S/C25H23N5OS/c31-25(18-3-6-26-7-4-18)30-10-8-29(9-11-30)15-17-1-2-21-20(13-17)14-22-23(27-28-24(21)22)19-5-12-32-16-19/h1-7,12-13,16H,8-11,14-15H2,(H,27,28)
InChIKeyWWFDNQMXAFMDTM-UHFFFAOYSA-N
MW441.56 g/mol
LogP4.06
Rot. Bonds4

About pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone

pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone (PubChem CID 69199030) has the molecular formula C25H23N5OS and a molecular weight of 441.56 g/mol. Its IUPAC name is pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namepyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone
PubChem CID69199030
Molecular FormulaC25H23N5OS
Molecular Weight441.56 g/mol
Exact Mass441.16
IUPAC Namepyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone
SMILESO=C(c1ccncc1)N1CCN(Cc2ccc3c(c2)Cc2c(-c4ccsc4)n[nH]c2-3)CC1
InChIInChI=1S/C25H23N5OS/c31-25(18-3-6-26-7-4-18)30-10-8-29(9-11-30)15-17-1-2-21-20(13-17)14-22-23(27-28-24(21)22)19-5-12-32-16-19/h1-7,12-13,16H,8-11,14-15H2,(H,27,28)
InChIKeyWWFDNQMXAFMDTM-UHFFFAOYSA-N
XLogP4.06
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.56
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]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

6-[(4-ethylpiperazin-1-yl)methyl]-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazole
CID 69201978
tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate
CID 69202922
4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine
CID 69202365
N-[3-[6-[(4-hydroxypiperidin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazol-3-yl]phenyl]acetamide
CID 10092521
3-[5-[3-(2-methoxyethoxy)prop-1-ynyl]thiophen-3-yl]-6-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazole
CID 11518300
3-(5-hept-1-ynylthiophen-3-yl)-6-[(4-methylpiperazin-1-yl)methyl]-1,4-dihydroindeno[2,1-d]pyrazole
CID 69201976
5-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]thiophene-2-carbaldehyde
CID 87732507
[4-[(3-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 86781778
[5-[6-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]thiophen-2-yl]methylcarbamic acid
CID 69202952
3-(4-bromophenyl)-6-(1,2,4-triazol-1-ylmethyl)-1,4-dihydroindeno[2,1-d]pyrazole
CID 69199091
[4-[(3-methylphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 828834
(4-benzylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755805

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone (CID 69199030) is pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone is O=C(c1ccncc1)N1CCN(Cc2ccc3c(c2)Cc2c(-c4ccsc4)n[nH]c2-3)CC1.
What is the InChIKey of pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is WWFDNQMXAFMDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5OS/c31-25(18-3-6-26-7-4-18)30-10-8-29(9-11-30)15-17-1-2-21-20(13-17)14-22-23(27-28-24(21)22)19-5-12-32-16-19/h1-7,12-13,16H,8-11,14-15H2,(H,27,28).
What are the key properties of pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone?
pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 441.56 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 69199030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).