[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C18H23N7O — CID 118479732

IUPAC[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1cc(C2CCCN(C(=O)c3cnn(C(C)C)c3)C2)n2ncnc2n1
InChIInChI=1S/C18H23N7O/c1-12(2)24-10-15(8-20-24)17(26)23-6-4-5-14(9-23)16-7-13(3)22-18-19-11-21-25(16)18/h7-8,10-12,14H,4-6,9H2,1-3H3
InChIKeyZMUUXXYBESPLCC-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.23
Rot. Bonds3

About [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 118479732) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID118479732
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1cc(C2CCCN(C(=O)c3cnn(C(C)C)c3)C2)n2ncnc2n1
InChIInChI=1S/C18H23N7O/c1-12(2)24-10-15(8-20-24)17(26)23-6-4-5-14(9-23)16-7-13(3)22-18-19-11-21-25(16)18/h7-8,10-12,14H,4-6,9H2,1-3H3
InChIKeyZMUUXXYBESPLCC-UHFFFAOYSA-N
XLogP2.23
TPSA81.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 118479732) is [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is Cc1cc(C2CCCN(C(=O)c3cnn(C(C)C)c3)C2)n2ncnc2n1.
What is the InChIKey of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is ZMUUXXYBESPLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-12(2)24-10-15(8-20-24)17(26)23-6-4-5-14(9-23)16-7-13(3)22-18-19-11-21-25(16)18/h7-8,10-12,14H,4-6,9H2,1-3H3.
What are the key properties of [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 353.43 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 118479732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).