2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole

C24H23N5S — CID 135559063

IUPAC2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole
SMILESc1csc(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)n1
InChIInChI=1S/C24H23N5S/c1-2-9-29(10-3-1)15-16-4-7-20-18(12-16)14-22(26-20)23-19-6-5-17(13-21(19)27-28-23)24-25-8-11-30-24/h4-8,11-14,26H,1-3,9-10,15H2,(H,27,28)
InChIKeyRZHGVPDZIAXVBY-UHFFFAOYSA-N
MW413.55 g/mol
LogP5.82
Rot. Bonds4

About 2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole

2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole (PubChem CID 135559063) has the molecular formula C24H23N5S and a molecular weight of 413.55 g/mol. Its IUPAC name is 2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole
PubChem CID135559063
Molecular FormulaC24H23N5S
Molecular Weight413.55 g/mol
Exact Mass413.17
IUPAC Name2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole
SMILESc1csc(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)n1
InChIInChI=1S/C24H23N5S/c1-2-9-29(10-3-1)15-16-4-7-20-18(12-16)14-22(26-20)23-19-6-5-17(13-21(19)27-28-23)24-25-8-11-30-24/h4-8,11-14,26H,1-3,9-10,15H2,(H,27,28)
InChIKeyRZHGVPDZIAXVBY-UHFFFAOYSA-N
XLogP5.82
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.55
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole?
The IUPAC name of 2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole (CID 135559063) is 2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole.
What is the SMILES notation for 2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole?
The canonical SMILES for 2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole is c1csc(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)n1.
What is the InChIKey of 2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole?
The InChIKey is RZHGVPDZIAXVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5S/c1-2-9-29(10-3-1)15-16-4-7-20-18(12-16)14-22(26-20)23-19-6-5-17(13-21(19)27-28-23)24-25-8-11-30-24/h4-8,11-14,26H,1-3,9-10,15H2,(H,27,28).
What are the key properties of 2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole?
2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole has a molecular weight of 413.55 g/mol, XLogP of 5.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl]-1,3-thiazole is sourced from PubChem (CID 135559063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).