[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone

C24H29N5OS — CID 56659840

IUPAC[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESCSc1nn(-c2ccccc2)c2cc(N3CCN(C(=O)C4CCNCC4)CC3)ccc12
InChIInChI=1S/C24H29N5OS/c1-31-23-21-8-7-20(17-22(21)29(26-23)19-5-3-2-4-6-19)27-13-15-28(16-14-27)24(30)18-9-11-25-12-10-18/h2-8,17-18,25H,9-16H2,1H3
InChIKeyAIVDLMNZRPZINH-UHFFFAOYSA-N
MW435.60 g/mol
LogP3.40
Rot. Bonds4

About [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone

[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone (PubChem CID 56659840) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone
PubChem CID56659840
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone
SMILESCSc1nn(-c2ccccc2)c2cc(N3CCN(C(=O)C4CCNCC4)CC3)ccc12
InChIInChI=1S/C24H29N5OS/c1-31-23-21-8-7-20(17-22(21)29(26-23)19-5-3-2-4-6-19)27-13-15-28(16-14-27)24(30)18-9-11-25-12-10-18/h2-8,17-18,25H,9-16H2,1H3
InChIKeyAIVDLMNZRPZINH-UHFFFAOYSA-N
XLogP3.40
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone?
The IUPAC name of [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone (CID 56659840) is [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone.
What is the SMILES notation for [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone?
The canonical SMILES for [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone is CSc1nn(-c2ccccc2)c2cc(N3CCN(C(=O)C4CCNCC4)CC3)ccc12.
What is the InChIKey of [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone?
The InChIKey is AIVDLMNZRPZINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-31-23-21-8-7-20(17-22(21)29(26-23)19-5-3-2-4-6-19)27-13-15-28(16-14-27)24(30)18-9-11-25-12-10-18/h2-8,17-18,25H,9-16H2,1H3.
What are the key properties of [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone?
[4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone has a molecular weight of 435.60 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylsulfanyl-1-phenylindazol-6-yl)piperazin-1-yl]-piperidin-4-ylmethanone is sourced from PubChem (CID 56659840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).