5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

C25H33ClN6S — CID 90282470

IUPAC5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(-c2ccc(-c3cnn4c3CCCC4)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H33ClN6S/c1-24(2)13-17(14-25(3,4)30-24)31(5)23-29-28-22(33-23)18-10-9-16(12-20(18)26)19-15-27-32-11-7-6-8-21(19)32/h9-10,12,15,17,30H,6-8,11,13-14H2,1-5H3
InChIKeyFVTOVLLCKDXLCP-UHFFFAOYSA-N
MW485.10 g/mol
LogP5.80
Rot. Bonds4

About 5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine

5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (PubChem CID 90282470) has the molecular formula C25H33ClN6S and a molecular weight of 485.10 g/mol. Its IUPAC name is 5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
PubChem CID90282470
Molecular FormulaC25H33ClN6S
Molecular Weight485.10 g/mol
Exact Mass484.22
IUPAC Name5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine
SMILESCN(c1nnc(-c2ccc(-c3cnn4c3CCCC4)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C25H33ClN6S/c1-24(2)13-17(14-25(3,4)30-24)31(5)23-29-28-22(33-23)18-10-9-16(12-20(18)26)19-15-27-32-11-7-6-8-21(19)32/h9-10,12,15,17,30H,6-8,11,13-14H2,1-5H3
InChIKeyFVTOVLLCKDXLCP-UHFFFAOYSA-N
XLogP5.80
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.10
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine (CID 90282470) is 5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is CN(c1nnc(-c2ccc(-c3cnn4c3CCCC4)cc2Cl)s1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FVTOVLLCKDXLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN6S/c1-24(2)13-17(14-25(3,4)30-24)31(5)23-29-28-22(33-23)18-10-9-16(12-20(18)26)19-15-27-32-11-7-6-8-21(19)32/h9-10,12,15,17,30H,6-8,11,13-14H2,1-5H3.
What are the key properties of 5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine?
5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine has a molecular weight of 485.10 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-chloro-4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)phenyl]-N-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 90282470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).