[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

C23H23N5OS — CID 53173137

IUPAC[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCn1cc(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)cs2)c2cccnc21
InChIInChI=1S/C23H23N5OS/c1-2-26-15-19(18-9-6-10-24-21(18)26)22-25-20(16-30-22)23(29)28-13-11-27(12-14-28)17-7-4-3-5-8-17/h3-10,15-16H,2,11-14H2,1H3
InChIKeyHSZUYPDRNPOKRI-UHFFFAOYSA-N
MW417.54 g/mol
LogP4.14
Rot. Bonds4

About [2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone

[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 53173137) has the molecular formula C23H23N5OS and a molecular weight of 417.54 g/mol. Its IUPAC name is [2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID53173137
Molecular FormulaC23H23N5OS
Molecular Weight417.54 g/mol
Exact Mass417.16
IUPAC Name[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCn1cc(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)cs2)c2cccnc21
InChIInChI=1S/C23H23N5OS/c1-2-26-15-19(18-9-6-10-24-21(18)26)22-25-20(16-30-22)23(29)28-13-11-27(12-14-28)17-7-4-3-5-8-17/h3-10,15-16H,2,11-14H2,1H3
InChIKeyHSZUYPDRNPOKRI-UHFFFAOYSA-N
XLogP4.14
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.54
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone (CID 53173137) is [2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is CCn1cc(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)cs2)c2cccnc21.
What is the InChIKey of [2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is HSZUYPDRNPOKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5OS/c1-2-26-15-19(18-9-6-10-24-21(18)26)22-25-20(16-30-22)23(29)28-13-11-27(12-14-28)17-7-4-3-5-8-17/h3-10,15-16H,2,11-14H2,1H3.
What are the key properties of [2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone?
[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 417.54 g/mol, XLogP of 4.14, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-4-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 53173137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).