tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate

C24H28N4O2S — CID 69202922

IUPACtert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)CC1
InChIInChI=1S/C24H28N4O2S/c1-24(2,3)30-23(29)28-9-7-27(8-10-28)14-16-4-5-17-13-20-21(18-6-11-31-15-18)25-26-22(20)19(17)12-16/h4-6,11-12,15H,7-10,13-14H2,1-3H3,(H,25,26)
InChIKeyXKCGGPFJDNOKBL-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.76
Rot. Bonds3

About tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate

tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate (PubChem CID 69202922) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate
PubChem CID69202922
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Nametert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(Cc2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)CC1
InChIInChI=1S/C24H28N4O2S/c1-24(2,3)30-23(29)28-9-7-27(8-10-28)14-16-4-5-17-13-20-21(18-6-11-31-15-18)25-26-22(20)19(17)12-16/h4-6,11-12,15H,7-10,13-14H2,1-3H3,(H,25,26)
InChIKeyXKCGGPFJDNOKBL-UHFFFAOYSA-N
XLogP4.76
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate with MolForge

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Related Compounds

pyridin-4-yl-[4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-6-yl)methyl]piperazin-1-yl]methanone
CID 69199030
4-[(6-methyl-3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]morpholine
CID 69202365
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CID 10162397
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CID 143091032
5-[7-[(4-methylpiperazin-1-yl)methyl]-2,4-dihydroindeno[1,2-c]pyrazol-3-yl]thiophene-2-carbaldehyde
CID 87732603
tert-butyl 4-[[4-(aminomethyl)phenyl]methyl]piperazine-1-carboxylate
CID 103616556
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CID 137128492
tert-butyl 4-[[4-(3-iodo-6-methyl-2H-indazol-5-yl)phenyl]methyl]piperazine-1-carboxylate
CID 156792740
lithium;3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]benzoic acid;hydroxide;hydrate
CID 157103833
[3-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]phenyl]boronic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate (CID 69202922) is tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(Cc2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)CC1.
What is the InChIKey of tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate?
The InChIKey is XKCGGPFJDNOKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c1-24(2,3)30-23(29)28-9-7-27(8-10-28)14-16-4-5-17-13-20-21(18-6-11-31-15-18)25-26-22(20)19(17)12-16/h4-6,11-12,15H,7-10,13-14H2,1-3H3,(H,25,26).
What are the key properties of tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate?
tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate has a molecular weight of 436.58 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(3-thiophen-3-yl-1,4-dihydroindeno[2,1-d]pyrazol-7-yl)methyl]piperazine-1-carboxylate is sourced from PubChem (CID 69202922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).