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

C20H13ClN6S — CID 123903690

IUPAC4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole
SMILESCn1ccc2c(-c3ccccn3)nc(-c3sc(-c4cncnc4)nc3Cl)cc21
InChIInChI=1S/C20H13ClN6S/c1-27-7-5-13-16(27)8-15(25-17(13)14-4-2-3-6-24-14)18-19(21)26-20(28-18)12-9-22-11-23-10-12/h2-11H,1H3
InChIKeyFLFGYYDZEGPVBH-UHFFFAOYSA-N
MW404.89 g/mol
LogP4.87
Rot. Bonds3

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

4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole (PubChem CID 123903690) has the molecular formula C20H13ClN6S and a molecular weight of 404.89 g/mol. Its IUPAC name is 4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole
PubChem CID123903690
Molecular FormulaC20H13ClN6S
Molecular Weight404.89 g/mol
Exact Mass404.06
IUPAC Name4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole
SMILESCn1ccc2c(-c3ccccn3)nc(-c3sc(-c4cncnc4)nc3Cl)cc21
InChIInChI=1S/C20H13ClN6S/c1-27-7-5-13-16(27)8-15(25-17(13)14-4-2-3-6-24-14)18-19(21)26-20(28-18)12-9-22-11-23-10-12/h2-11H,1H3
InChIKeyFLFGYYDZEGPVBH-UHFFFAOYSA-N
XLogP4.87
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.89
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-(1-methyl-5-pyridin-2-ylpyrrolo[2,3-c]pyridin-7-yl)-2-pyridin-3-yl-1,3-thiazole
CID 123730233
4-(4-chloro-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-6-pyrimidin-2-ylthieno[3,2-c]pyridine
CID 123832640
6-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)-4-pyridin-2-ylfuro[3,2-c]pyridine
CID 123255086
2-(1-methyl-4-pyrimidin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-5-pyridin-3-yl-1,3,4-thiadiazole
CID 123918244
1-methyl-4-(4-methyl-2-pyrimidin-5-yl-1,3-thiazol-5-yl)pyrrolo[3,2-c]pyridine-6-carboxamide
CID 123364686
4-pyridin-2-yl-6-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)thieno[3,2-c]pyridine
CID 123696099
2-(4-chloro-2-pyridin-3-yl-1,3-thiazol-5-yl)pyridine-3-carbonitrile
CID 144657133
2-[3,5-bis(6-pyridin-2-yl-2-pyridinyl)phenyl]-6-pyridin-2-ylpyridine;3-[3,5-bis(5-pyridin-2-yl-3-pyridinyl)phenyl]-5-pyridin-2-ylpyridine;2-[3,5-bis[6-(6-pyridin-2-yl-2-pyridinyl)-2-pyridinyl]phenyl]-6-(6-pyridin-2-yl-2-pyridinyl)pyridine
CID 162168148
6-pyridin-2-yl-2-pyridin-3-yl-[1,3]thiazolo[4,5-c]pyridine
CID 121378342
3-(3-methylphenyl)-1-pyridin-2-ylimidazo[1,5-a]pyridine
CID 11737712
5-[3-[3-[3-[3-phenyl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine;5-[3-[3-[3-[3-pyridin-3-yl-5-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyrimidine
CID 165106761
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole?
The IUPAC name of 4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole (CID 123903690) is 4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole.
What is the SMILES notation for 4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole?
The canonical SMILES for 4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole is Cn1ccc2c(-c3ccccn3)nc(-c3sc(-c4cncnc4)nc3Cl)cc21.
What is the InChIKey of 4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole?
The InChIKey is FLFGYYDZEGPVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN6S/c1-27-7-5-13-16(27)8-15(25-17(13)14-4-2-3-6-24-14)18-19(21)26-20(28-18)12-9-22-11-23-10-12/h2-11H,1H3.
What are the key properties of 4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole?
4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole has a molecular weight of 404.89 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(1-methyl-4-pyridin-2-ylpyrrolo[3,2-c]pyridin-6-yl)-2-pyrimidin-5-yl-1,3-thiazole is sourced from PubChem (CID 123903690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).