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

C24H23N3OS — CID 135566613

IUPAC3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc2cc(-c3n[nH]c4cc(-c5ccccc5)sc34)[nH]c2c1
InChIInChI=1S/C24H23N3OS/c1-3-24(28,4-2)17-11-10-16-12-19(25-18(16)13-17)22-23-20(26-27-22)14-21(29-23)15-8-6-5-7-9-15/h5-14,25,28H,3-4H2,1-2H3,(H,26,27)
InChIKeyYBKODNZGBUDZRA-UHFFFAOYSA-N
MW401.54 g/mol
LogP6.45
Rot. Bonds5

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

3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol (PubChem CID 135566613) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is 3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol.

Molecular Properties

Compound Name3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol
PubChem CID135566613
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC Name3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol
SMILESCCC(O)(CC)c1ccc2cc(-c3n[nH]c4cc(-c5ccccc5)sc34)[nH]c2c1
InChIInChI=1S/C24H23N3OS/c1-3-24(28,4-2)17-11-10-16-12-19(25-18(16)13-17)22-23-20(26-27-22)14-21(29-23)15-8-6-5-7-9-15/h5-14,25,28H,3-4H2,1-2H3,(H,26,27)
InChIKeyYBKODNZGBUDZRA-UHFFFAOYSA-N
XLogP6.45
TPSA64.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 56.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol?
The IUPAC name of 3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol (CID 135566613) is 3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol.
What is the SMILES notation for 3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol?
The canonical SMILES for 3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol is CCC(O)(CC)c1ccc2cc(-c3n[nH]c4cc(-c5ccccc5)sc34)[nH]c2c1.
What is the InChIKey of 3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol?
The InChIKey is YBKODNZGBUDZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-3-24(28,4-2)17-11-10-16-12-19(25-18(16)13-17)22-23-20(26-27-22)14-21(29-23)15-8-6-5-7-9-15/h5-14,25,28H,3-4H2,1-2H3,(H,26,27).
What are the key properties of 3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol?
3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol has a molecular weight of 401.54 g/mol, XLogP of 6.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)-1H-indol-6-yl]pentan-3-ol is sourced from PubChem (CID 135566613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).