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

C20H13ClN6S — CID 123318686

IUPAC4-chloro-5-(1-methyl-2-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCn1c(-c2ncccn2)cc2ccc(-c3sc(-c4cccnc4)nc3Cl)nc21
InChIInChI=1S/C20H13ClN6S/c1-27-15(18-23-8-3-9-24-18)10-12-5-6-14(25-19(12)27)16-17(21)26-20(28-16)13-4-2-7-22-11-13/h2-11H,1H3
InChIKeyOFOGQDCUQNVKGX-UHFFFAOYSA-N
MW404.89 g/mol
LogP4.87
Rot. Bonds3

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

4-chloro-5-(1-methyl-2-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole (PubChem CID 123318686) has the molecular formula C20H13ClN6S and a molecular weight of 404.89 g/mol. Its IUPAC name is 4-chloro-5-(1-methyl-2-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-5-(1-methyl-2-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole
PubChem CID123318686
Molecular FormulaC20H13ClN6S
Molecular Weight404.89 g/mol
Exact Mass404.06
IUPAC Name4-chloro-5-(1-methyl-2-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole
SMILESCn1c(-c2ncccn2)cc2ccc(-c3sc(-c4cccnc4)nc3Cl)nc21
InChIInChI=1S/C20H13ClN6S/c1-27-15(18-23-8-3-9-24-18)10-12-5-6-14(25-19(12)27)16-17(21)26-20(28-16)13-4-2-7-22-11-13/h2-11H,1H3
InChIKeyOFOGQDCUQNVKGX-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

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Related Compounds

TH1020
CID 124203921
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
(3R)-1-[5-chloro-6-ethyl-2-(1,5-naphthyridin-3-ylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]pyrrolidin-3-amine
CID 71718792
4-[(4-chlorophenyl)methylsulfanyl]-N,N-dimethylpyrido[1,2]thieno[3,4-d]pyrimidin-9-amine
CID 1069463
4-(4-Methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2100253
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(4-pyridin-2-ylbutyl)pyrimidin-4-amine
CID 127042169
3-{2-[(4-Chlorobenzyl)thio]pyrimidin-4-yl}-2-methylimidazo[1,2-a]pyridine
CID 2745488
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
6-Benzyl-2-(1-methyl-1H-imidazol-4-yl)-thieno[2,3-d]pyrimidin-4-ylamine
CID 45275820

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(1-methyl-2-pyrimidin-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-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole (CID 123318686) is 4-chloro-5-(1-methyl-2-pyrimidin-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-pyrimidin-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-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole is Cn1c(-c2ncccn2)cc2ccc(-c3sc(-c4cccnc4)nc3Cl)nc21.
What is the InChIKey of 4-chloro-5-(1-methyl-2-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole?
The InChIKey is OFOGQDCUQNVKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClN6S/c1-27-15(18-23-8-3-9-24-18)10-12-5-6-14(25-19(12)27)16-17(21)26-20(28-16)13-4-2-7-22-11-13/h2-11H,1H3.
What are the key properties of 4-chloro-5-(1-methyl-2-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole?
4-chloro-5-(1-methyl-2-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-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-2-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-6-yl)-2-pyridin-3-yl-1,3-thiazole is sourced from PubChem (CID 123318686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).