N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide

C18H22N6O3 — CID 133287347

IUPACN-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide
SMILESCOCc1cc(N2CCC(NC(=O)c3ccoc3C)CC2)n2ncnc2n1
InChIInChI=1S/C18H22N6O3/c1-12-15(5-8-27-12)17(25)21-13-3-6-23(7-4-13)16-9-14(10-26-2)22-18-19-11-20-24(16)18/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,21,25)
InChIKeyCXWVFONFWSGNIX-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.57
Rot. Bonds5

About N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide

N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide (PubChem CID 133287347) has the molecular formula C18H22N6O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide
PubChem CID133287347
Molecular FormulaC18H22N6O3
Molecular Weight370.41 g/mol
Exact Mass370.18
IUPAC NameN-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide
SMILESCOCc1cc(N2CCC(NC(=O)c3ccoc3C)CC2)n2ncnc2n1
InChIInChI=1S/C18H22N6O3/c1-12-15(5-8-27-12)17(25)21-13-3-6-23(7-4-13)16-9-14(10-26-2)22-18-19-11-20-24(16)18/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,21,25)
InChIKeyCXWVFONFWSGNIX-UHFFFAOYSA-N
XLogP1.57
TPSA97.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide (CID 133287347) is N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide is COCc1cc(N2CCC(NC(=O)c3ccoc3C)CC2)n2ncnc2n1.
What is the InChIKey of N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide?
The InChIKey is CXWVFONFWSGNIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3/c1-12-15(5-8-27-12)17(25)21-13-3-6-23(7-4-13)16-9-14(10-26-2)22-18-19-11-20-24(16)18/h5,8-9,11,13H,3-4,6-7,10H2,1-2H3,(H,21,25).
What are the key properties of N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide?
N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide has a molecular weight of 370.41 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidin-4-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 133287347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).