N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide

C17H23FN6O — CID 165432562

IUPACN-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1nc2ncnn2c(N2CCC(F)(CNC(=O)C3CC3)CC2)c1C
InChIInChI=1S/C17H23FN6O/c1-11-12(2)22-16-20-10-21-24(16)15(11)23-7-5-17(18,6-8-23)9-19-14(25)13-3-4-13/h10,13H,3-9H2,1-2H3,(H,19,25)
InChIKeySZZHHLAWZNQWQH-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.58
Rot. Bonds4

About N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide

N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 165432562) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID165432562
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC NameN-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide
SMILESCc1nc2ncnn2c(N2CCC(F)(CNC(=O)C3CC3)CC2)c1C
InChIInChI=1S/C17H23FN6O/c1-11-12(2)22-16-20-10-21-24(16)15(11)23-7-5-17(18,6-8-23)9-19-14(25)13-3-4-13/h10,13H,3-9H2,1-2H3,(H,19,25)
InChIKeySZZHHLAWZNQWQH-UHFFFAOYSA-N
XLogP1.58
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide (CID 165432562) is N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide is Cc1nc2ncnn2c(N2CCC(F)(CNC(=O)C3CC3)CC2)c1C.
What is the InChIKey of N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is SZZHHLAWZNQWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-11-12(2)22-16-20-10-21-24(16)15(11)23-7-5-17(18,6-8-23)9-19-14(25)13-3-4-13/h10,13H,3-9H2,1-2H3,(H,19,25).
What are the key properties of N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide?
N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 346.41 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5,6-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-4-fluoropiperidin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 165432562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).