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

C19H12ClFN4S — CID 155814916

IUPAC4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole
SMILESCn1cc(-c2csc(-c3c[nH]c4ccc(F)cc34)n2)c2ccnc(Cl)c21
InChIInChI=1S/C19H12ClFN4S/c1-25-8-14(11-4-5-22-18(20)17(11)25)16-9-26-19(24-16)13-7-23-15-3-2-10(21)6-12(13)15/h2-9,23H,1H3
InChIKeyLAZHEWDBDDGNHD-UHFFFAOYSA-N
MW382.85 g/mol
LogP5.64
Rot. Bonds2

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

4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole (PubChem CID 155814916) has the molecular formula C19H12ClFN4S and a molecular weight of 382.85 g/mol. Its IUPAC name is 4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole
PubChem CID155814916
Molecular FormulaC19H12ClFN4S
Molecular Weight382.85 g/mol
Exact Mass382.05
IUPAC Name4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole
SMILESCn1cc(-c2csc(-c3c[nH]c4ccc(F)cc34)n2)c2ccnc(Cl)c21
InChIInChI=1S/C19H12ClFN4S/c1-25-8-14(11-4-5-22-18(20)17(11)25)16-9-26-19(24-16)13-7-23-15-3-2-10(21)6-12(13)15/h2-9,23H,1H3
InChIKeyLAZHEWDBDDGNHD-UHFFFAOYSA-N
XLogP5.64
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.85
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1H-Indole, 3-(2-pyridin-3-yl-thiazol-4-yl)-
CID 711817
3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1H-indole
CID 711829
1H-Indole, 3-[4-(1H-indol-3-yl)-2-thiazolyl]-
CID 396206
4-(2-methyl-1H-indol-3-yl)-2-pyridin-3-yl-1,3-thiazole
CID 711832
2-[4-(9,15-Diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-15-yl)butyl]-1,3-thiazole
CID 15149405
2-[5-fluoro-1-(2-methoxyethyl)indol-3-yl]-4-(1H-indol-3-yl)-1,3-thiazole
CID 168283445
1H-Indole, 2-methyl-3-(2-pyridin-4-yl)thiazol-4-yl-
CID 711819
2-ethyl-4-[[4-(1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]methyl]-1,3-thiazole
CID 39998326
4-chloro-N-[(2-methyl-1H-indol-3-yl)-(1,3-thiazol-2-yl)methyl]aniline
CID 76317516
2-(5-bromo-1H-indol-3-yl)-4-(7-chloro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1,3-thiazole
CID 155815650
2-[5-Fluoro-3-[4-(1-methylindol-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethanamine
CID 162642997
2-(6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)-1,3-thiazole;hydrochloride
CID 168286081

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole?
The IUPAC name of 4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole (CID 155814916) is 4-(7-chloro-1-methylpyrrolo[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-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole?
The canonical SMILES for 4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole is Cn1cc(-c2csc(-c3c[nH]c4ccc(F)cc34)n2)c2ccnc(Cl)c21.
What is the InChIKey of 4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole?
The InChIKey is LAZHEWDBDDGNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClFN4S/c1-25-8-14(11-4-5-22-18(20)17(11)25)16-9-26-19(24-16)13-7-23-15-3-2-10(21)6-12(13)15/h2-9,23H,1H3.
What are the key properties of 4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole?
4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole has a molecular weight of 382.85 g/mol, XLogP of 5.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-1-methylpyrrolo[2,3-c]pyridin-3-yl)-2-(5-fluoro-1H-indol-3-yl)-1,3-thiazole is sourced from PubChem (CID 155814916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).