4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole

C18H10ClFN4S — CID 155811837

IUPAC4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole
SMILESFc1ccc2[nH]cc(-c3nc(-c4c[nH]c5c(Cl)nccc45)cs3)c2c1
InChIInChI=1S/C18H10ClFN4S/c19-17-16-10(3-4-21-17)12(6-23-16)15-8-25-18(24-15)13-7-22-14-2-1-9(20)5-11(13)14/h1-8,22-23H
InChIKeyHKAFLGSSSOYENX-UHFFFAOYSA-N
MW368.82 g/mol
LogP5.63
Rot. Bonds2

About 4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole

4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole (PubChem CID 155811837) has the molecular formula C18H10ClFN4S and a molecular weight of 368.82 g/mol. Its IUPAC name is 4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole
PubChem CID155811837
Molecular FormulaC18H10ClFN4S
Molecular Weight368.82 g/mol
Exact Mass368.03
IUPAC Name4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole
SMILESFc1ccc2[nH]cc(-c3nc(-c4c[nH]c5c(Cl)nccc45)cs3)c2c1
InChIInChI=1S/C18H10ClFN4S/c19-17-16-10(3-4-21-17)12(6-23-16)15-8-25-18(24-15)13-7-22-14-2-1-9(20)5-11(13)14/h1-8,22-23H
InChIKeyHKAFLGSSSOYENX-UHFFFAOYSA-N
XLogP5.63
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.82
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole (CID 155811837) is 4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole.
What is the SMILES notation for 4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole is Fc1ccc2[nH]cc(-c3nc(-c4c[nH]c5c(Cl)nccc45)cs3)c2c1.
What is the InChIKey of 4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole?
The InChIKey is HKAFLGSSSOYENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClFN4S/c19-17-16-10(3-4-21-17)12(6-23-16)15-8-25-18(24-15)13-7-22-14-2-1-9(20)5-11(13)14/h1-8,22-23H.
What are the key properties of 4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole?
4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole has a molecular weight of 368.82 g/mol, XLogP of 5.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole is sourced from PubChem (CID 155811837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).