4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole

C21H14ClN5S — CID 123730233

IUPAC4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCn1ccc2cc(-c3ccccn3)nc(-c3sc(-c4cccnc4)nc3Cl)c21
InChIInChI=1S/C21H14ClN5S/c1-27-10-7-13-11-16(15-6-2-3-9-24-15)25-17(18(13)27)19-20(22)26-21(28-19)14-5-4-8-23-12-14/h2-12H,1H3
InChIKeyWLYIFKRTEXAKOY-UHFFFAOYSA-N
MW403.90 g/mol
LogP5.47
Rot. Bonds3

About 4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole

4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 123730233) has the molecular formula C21H14ClN5S and a molecular weight of 403.90 g/mol. Its IUPAC name is 4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID123730233
Molecular FormulaC21H14ClN5S
Molecular Weight403.90 g/mol
Exact Mass403.07
IUPAC Name4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCn1ccc2cc(-c3ccccn3)nc(-c3sc(-c4cccnc4)nc3Cl)c21
InChIInChI=1S/C21H14ClN5S/c1-27-10-7-13-11-16(15-6-2-3-9-24-15)25-17(18(13)27)19-20(22)26-21(28-19)14-5-4-8-23-12-14/h2-12H,1H3
InChIKeyWLYIFKRTEXAKOY-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

4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole
CID 123903690
2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile
CID 144657133
6-pyridin-2-yl-2-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridine
CID 121378342
4-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 119088487
2-pyridin-3-ylpyridine;dihydrochloride
CID 67024611
2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole
CID 123918244
10-[3-[3-phenothiazin-10-yl-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]-5-(6-pyridin-2-yl-2-pyridin-3-ylpyrimidin-4-yl)phenyl]phenothiazine
CID 129291643
2,6-dipyridin-2-yl-4-[4-(3-pyridin-3-ylphenyl)phenyl]pyridine
CID 126730922
5-pyridin-2-yl-2-pyridin-3-yl-1,3-thiazole
CID 71226275
2-[3-[4-(2,5-dipyridin-3-ylpyrrol-1-yl)phenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58489481
4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine
CID 123832640
4-propan-2-yl-2-pyridin-2-yl-6-pyridin-3-ylpyridine
CID 59246459

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole?
The IUPAC name of 4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole (CID 123730233) is 4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole is Cn1ccc2cc(-c3ccccn3)nc(-c3sc(-c4cccnc4)nc3Cl)c21.
What is the InChIKey of 4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is WLYIFKRTEXAKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClN5S/c1-27-10-7-13-11-16(15-6-2-3-9-24-15)25-17(18(13)27)19-20(22)26-21(28-19)14-5-4-8-23-12-14/h2-12H,1H3.
What are the key properties of 4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole?
4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-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-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 123730233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).