methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate

C18H13ClN4O2S — CID 23590807

IUPACmethyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2[nH]nc3c(C)c(Cl)ccc23)sc1-c1cccnc1
InChIInChI=1S/C18H13ClN4O2S/c1-9-12(19)6-5-11-13(9)22-23-14(11)17-21-15(18(24)25-2)16(26-17)10-4-3-7-20-8-10/h3-8H,1-2H3,(H,22,23)
InChIKeyUCFDUMKOARWKEB-UHFFFAOYSA-N
MW384.85 g/mol
LogP4.50
Rot. Bonds3

About methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate

methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate (PubChem CID 23590807) has the molecular formula C18H13ClN4O2S and a molecular weight of 384.85 g/mol. Its IUPAC name is methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
PubChem CID23590807
Molecular FormulaC18H13ClN4O2S
Molecular Weight384.85 g/mol
Exact Mass384.04
IUPAC Namemethyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate
SMILESCOC(=O)c1nc(-c2[nH]nc3c(C)c(Cl)ccc23)sc1-c1cccnc1
InChIInChI=1S/C18H13ClN4O2S/c1-9-12(19)6-5-11-13(9)22-23-14(11)17-21-15(18(24)25-2)16(26-17)10-4-3-7-20-8-10/h3-8H,1-2H3,(H,22,23)
InChIKeyUCFDUMKOARWKEB-UHFFFAOYSA-N
XLogP4.50
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.85
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate?
The IUPAC name of methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate (CID 23590807) is methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate.
What is the SMILES notation for methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate?
The canonical SMILES for methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate is COC(=O)c1nc(-c2[nH]nc3c(C)c(Cl)ccc23)sc1-c1cccnc1.
What is the InChIKey of methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate?
The InChIKey is UCFDUMKOARWKEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2S/c1-9-12(19)6-5-11-13(9)22-23-14(11)17-21-15(18(24)25-2)16(26-17)10-4-3-7-20-8-10/h3-8H,1-2H3,(H,22,23).
What are the key properties of methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate?
methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate has a molecular weight of 384.85 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazole-4-carboxylate is sourced from PubChem (CID 23590807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).