[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone

C23H23ClN6OS — CID 23590755

IUPAC[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone
SMILESCCN(C)C1CN(C(=O)c2nc(-c3[nH]nc4c(C)c(Cl)ccc34)sc2-c2cccnc2)C1
InChIInChI=1S/C23H23ClN6OS/c1-4-29(3)15-11-30(12-15)23(31)20-21(14-6-5-9-25-10-14)32-22(26-20)19-16-7-8-17(24)13(2)18(16)27-28-19/h5-10,15H,4,11-12H2,1-3H3,(H,27,28)
InChIKeyGOEPTCSJVSKWPW-UHFFFAOYSA-N
MW467.00 g/mol
LogP4.49
Rot. Bonds5

About [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone

[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone (PubChem CID 23590755) has the molecular formula C23H23ClN6OS and a molecular weight of 467.00 g/mol. Its IUPAC name is [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone
PubChem CID23590755
Molecular FormulaC23H23ClN6OS
Molecular Weight467.00 g/mol
Exact Mass466.13
IUPAC Name[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone
SMILESCCN(C)C1CN(C(=O)c2nc(-c3[nH]nc4c(C)c(Cl)ccc34)sc2-c2cccnc2)C1
InChIInChI=1S/C23H23ClN6OS/c1-4-29(3)15-11-30(12-15)23(31)20-21(14-6-5-9-25-10-14)32-22(26-20)19-16-7-8-17(24)13(2)18(16)27-28-19/h5-10,15H,4,11-12H2,1-3H3,(H,27,28)
InChIKeyGOEPTCSJVSKWPW-UHFFFAOYSA-N
XLogP4.49
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.00
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone?
The IUPAC name of [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone (CID 23590755) is [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone.
What is the SMILES notation for [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone?
The canonical SMILES for [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone is CCN(C)C1CN(C(=O)c2nc(-c3[nH]nc4c(C)c(Cl)ccc34)sc2-c2cccnc2)C1.
What is the InChIKey of [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone?
The InChIKey is GOEPTCSJVSKWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6OS/c1-4-29(3)15-11-30(12-15)23(31)20-21(14-6-5-9-25-10-14)32-22(26-20)19-16-7-8-17(24)13(2)18(16)27-28-19/h5-10,15H,4,11-12H2,1-3H3,(H,27,28).
What are the key properties of [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone?
[2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone has a molecular weight of 467.00 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6-chloro-7-methyl-2H-indazol-3-yl)-5-pyridin-3-yl-1,3-thiazol-4-yl]-[3-[ethyl(methyl)amino]azetidin-1-yl]methanone is sourced from PubChem (CID 23590755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).