3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol

C22H29N5OS — CID 71020057

IUPAC3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc2c(c1)NC(c1[nH]nc3cc(N4CCNCC4)sc13)C2
InChIInChI=1S/C22H29N5OS/c1-3-22(28,4-2)15-6-5-14-11-17(24-16(14)12-15)20-21-18(25-26-20)13-19(29-21)27-9-7-23-8-10-27/h5-6,12-13,17,23-24,28H,3-4,7-11H2,1-2H3,(H,25,26)
InChIKeyCUGKJLCNOYRDQU-UHFFFAOYSA-N
MW411.58 g/mol
LogP3.75
Rot. Bonds5

About 3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol

3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol (PubChem CID 71020057) has the molecular formula C22H29N5OS and a molecular weight of 411.58 g/mol. Its IUPAC name is 3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol
PubChem CID71020057
Molecular FormulaC22H29N5OS
Molecular Weight411.58 g/mol
Exact Mass411.21
IUPAC Name3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc2c(c1)NC(c1[nH]nc3cc(N4CCNCC4)sc13)C2
InChIInChI=1S/C22H29N5OS/c1-3-22(28,4-2)15-6-5-14-11-17(24-16(14)12-15)20-21-18(25-26-20)13-19(29-21)27-9-7-23-8-10-27/h5-6,12-13,17,23-24,28H,3-4,7-11H2,1-2H3,(H,25,26)
InChIKeyCUGKJLCNOYRDQU-UHFFFAOYSA-N
XLogP3.75
TPSA76.21 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.58
LogP ≤ 53.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol?
The IUPAC name of 3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol (CID 71020057) is 3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol.
What is the SMILES notation for 3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol?
The canonical SMILES for 3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol is CCC(O)(CC)c1ccc2c(c1)NC(c1[nH]nc3cc(N4CCNCC4)sc13)C2.
What is the InChIKey of 3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol?
The InChIKey is CUGKJLCNOYRDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5OS/c1-3-22(28,4-2)15-6-5-14-11-17(24-16(14)12-15)20-21-18(25-26-20)13-19(29-21)27-9-7-23-8-10-27/h5-6,12-13,17,23-24,28H,3-4,7-11H2,1-2H3,(H,25,26).
What are the key properties of 3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol?
3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol has a molecular weight of 411.58 g/mol, XLogP of 3.75, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-piperazin-1-yl-2H-thieno[3,2-c]pyrazol-3-yl)-2,3-dihydro-1H-indol-6-yl]pentan-3-ol is sourced from PubChem (CID 71020057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).