2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile

C25H29N7S — CID 151104199

IUPAC2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile
SMILESCN(c1nc2ccc(-c3cc(C#N)c4nn(C)cc4c3)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H29N7S/c1-24(2)11-18(12-25(3,4)30-24)32(6)23-28-20-8-7-19(27-22(20)33-23)15-9-16(13-26)21-17(10-15)14-31(5)29-21/h7-10,14,18,30H,11-12H2,1-6H3
InChIKeyMOTFHFSCLZWVAT-UHFFFAOYSA-N
MW459.62 g/mol
LogP4.86
Rot. Bonds3

About 2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile

2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile (PubChem CID 151104199) has the molecular formula C25H29N7S and a molecular weight of 459.62 g/mol. Its IUPAC name is 2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile
PubChem CID151104199
Molecular FormulaC25H29N7S
Molecular Weight459.62 g/mol
Exact Mass459.22
IUPAC Name2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile
SMILESCN(c1nc2ccc(-c3cc(C#N)c4nn(C)cc4c3)nc2s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H29N7S/c1-24(2)11-18(12-25(3,4)30-24)32(6)23-28-20-8-7-19(27-22(20)33-23)15-9-16(13-26)21-17(10-15)14-31(5)29-21/h7-10,14,18,30H,11-12H2,1-6H3
InChIKeyMOTFHFSCLZWVAT-UHFFFAOYSA-N
XLogP4.86
TPSA82.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.62
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile?
The IUPAC name of 2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile (CID 151104199) is 2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile.
What is the SMILES notation for 2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile?
The canonical SMILES for 2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile is CN(c1nc2ccc(-c3cc(C#N)c4nn(C)cc4c3)nc2s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile?
The InChIKey is MOTFHFSCLZWVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7S/c1-24(2)11-18(12-25(3,4)30-24)32(6)23-28-20-8-7-19(27-22(20)33-23)15-9-16(13-26)21-17(10-15)14-31(5)29-21/h7-10,14,18,30H,11-12H2,1-6H3.
What are the key properties of 2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile?
2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile has a molecular weight of 459.62 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]indazole-7-carbonitrile is sourced from PubChem (CID 151104199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).