4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole

C21H14ClN5S — CID 123279143

IUPAC4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCn1c(-c2ccccn2)cc2ccc(-c3sc(-c4cccnc4)nc3Cl)nc21
InChIInChI=1S/C21H14ClN5S/c1-27-17(15-6-2-3-10-24-15)11-13-7-8-16(25-20(13)27)18-19(22)26-21(28-18)14-5-4-9-23-12-14/h2-12H,1H3
InChIKeyFEYOZFJEYFHRSE-UHFFFAOYSA-N
MW403.90 g/mol
LogP5.47
Rot. Bonds3

About 4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole

4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 123279143) has the molecular formula C21H14ClN5S and a molecular weight of 403.90 g/mol. Its IUPAC name is 4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID123279143
Molecular FormulaC21H14ClN5S
Molecular Weight403.90 g/mol
Exact Mass403.07
IUPAC Name4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCn1c(-c2ccccn2)cc2ccc(-c3sc(-c4cccnc4)nc3Cl)nc21
InChIInChI=1S/C21H14ClN5S/c1-27-17(15-6-2-3-10-24-15)11-13-7-8-16(25-20(13)27)18-19(22)26-21(28-18)14-5-4-9-23-12-14/h2-12H,1H3
InChIKeyFEYOZFJEYFHRSE-UHFFFAOYSA-N
XLogP5.47
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.90
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
7-[7-[4-(4-Methylpiperazin-1-yl)phenyl]imidazo[1,2-a]pyridin-3-yl]thieno[2,3-b]pyrazine
CID 56973462
10-(4,5-Dimethyl-thiazol-2-yl)-4-(4-phenethyl-piperazin-1-yl)-6,7,8,9-tetrahydro-pyrimido[4,5-b]indolizine
CID 10344755
2-(1,4''-Bipiperidin-1''-yl)-6-(6-methylpyridin-3-yl)thiazolo[4,5-b]pyridine
CID 45482687
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)thiazol-2-amine
CID 52941436
8,10-Dimethyl-12-(2-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 73334611
8,10-Dimethyl-12-(6-methyl-3-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 73425857
8,10-Dimethyl-12-(2-methyl-4-pyridinyl)-5-thia-1,3,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 73425975
11,13-Dimethyl-6-pyrrolidin-1-yl-8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 141760870
N-[4-(2,7-Dimethylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]-2-pyridinamine
CID 629409

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole (CID 123279143) is 4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole is Cn1c(-c2ccccn2)cc2ccc(-c3sc(-c4cccnc4)nc3Cl)nc21.
What is the InChIKey of 4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is FEYOZFJEYFHRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5S/c1-27-17(15-6-2-3-10-24-15)11-13-7-8-16(25-20(13)27)18-19(22)26-21(28-18)14-5-4-9-23-12-14/h2-12H,1H3.
What are the key properties of 4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole?
4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole has a molecular weight of 403.90 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-methyl-2-pyridin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 123279143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).