[6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

C26H26N6O3S — CID 66840609

IUPAC[6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESCOc1cncc(-c2ccc3cc(C(=O)N4CC(N5CCN(C(=O)c6nccs6)CC5)C4)[nH]c3c2)c1
InChIInChI=1S/C26H26N6O3S/c1-35-21-10-19(13-27-14-21)17-2-3-18-12-23(29-22(18)11-17)25(33)32-15-20(16-32)30-5-7-31(8-6-30)26(34)24-28-4-9-36-24/h2-4,9-14,20,29H,5-8,15-16H2,1H3
InChIKeySTAUDVXONJGELT-UHFFFAOYSA-N
MW502.60 g/mol
LogP2.98
Rot. Bonds5

About [6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone

[6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (PubChem CID 66840609) has the molecular formula C26H26N6O3S and a molecular weight of 502.60 g/mol. Its IUPAC name is [6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
PubChem CID66840609
Molecular FormulaC26H26N6O3S
Molecular Weight502.60 g/mol
Exact Mass502.18
IUPAC Name[6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone
SMILESCOc1cncc(-c2ccc3cc(C(=O)N4CC(N5CCN(C(=O)c6nccs6)CC5)C4)[nH]c3c2)c1
InChIInChI=1S/C26H26N6O3S/c1-35-21-10-19(13-27-14-21)17-2-3-18-12-23(29-22(18)11-17)25(33)32-15-20(16-32)30-5-7-31(8-6-30)26(34)24-28-4-9-36-24/h2-4,9-14,20,29H,5-8,15-16H2,1H3
InChIKeySTAUDVXONJGELT-UHFFFAOYSA-N
XLogP2.98
TPSA94.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.60
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The IUPAC name of [6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone (CID 66840609) is [6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone.
What is the SMILES notation for [6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The canonical SMILES for [6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is COc1cncc(-c2ccc3cc(C(=O)N4CC(N5CCN(C(=O)c6nccs6)CC5)C4)[nH]c3c2)c1.
What is the InChIKey of [6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
The InChIKey is STAUDVXONJGELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S/c1-35-21-10-19(13-27-14-21)17-2-3-18-12-23(29-22(18)11-17)25(33)32-15-20(16-32)30-5-7-31(8-6-30)26(34)24-28-4-9-36-24/h2-4,9-14,20,29H,5-8,15-16H2,1H3.
What are the key properties of [6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone?
[6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone has a molecular weight of 502.60 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(5-methoxy-3-pyridinyl)-1H-indol-2-yl]-[3-[4-(1,3-thiazole-2-carbonyl)piperazin-1-yl]azetidin-1-yl]methanone is sourced from PubChem (CID 66840609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).