8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C19H21N9S — CID 53354213

IUPAC8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ncc(-c2cccn3nc(NC4CCN(c5nc(C)ns5)CC4)nc23)cn1
InChIInChI=1S/C19H21N9S/c1-12-20-10-14(11-21-12)16-4-3-7-28-17(16)24-18(25-28)23-15-5-8-27(9-6-15)19-22-13(2)26-29-19/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3,(H,23,25)
InChIKeySGLHMZFGCXPDRJ-UHFFFAOYSA-N
MW407.51 g/mol
LogP2.74
Rot. Bonds4

About 8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 53354213) has the molecular formula C19H21N9S and a molecular weight of 407.51 g/mol. Its IUPAC name is 8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID53354213
Molecular FormulaC19H21N9S
Molecular Weight407.51 g/mol
Exact Mass407.16
IUPAC Name8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ncc(-c2cccn3nc(NC4CCN(c5nc(C)ns5)CC4)nc23)cn1
InChIInChI=1S/C19H21N9S/c1-12-20-10-14(11-21-12)16-4-3-7-28-17(16)24-18(25-28)23-15-5-8-27(9-6-15)19-22-13(2)26-29-19/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3,(H,23,25)
InChIKeySGLHMZFGCXPDRJ-UHFFFAOYSA-N
XLogP2.74
TPSA97.02 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 53354213) is 8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ncc(-c2cccn3nc(NC4CCN(c5nc(C)ns5)CC4)nc23)cn1.
What is the InChIKey of 8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is SGLHMZFGCXPDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N9S/c1-12-20-10-14(11-21-12)16-4-3-7-28-17(16)24-18(25-28)23-15-5-8-27(9-6-15)19-22-13(2)26-29-19/h3-4,7,10-11,15H,5-6,8-9H2,1-2H3,(H,23,25).
What are the key properties of 8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 407.51 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpyrimidin-5-yl)-N-[1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 53354213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).