N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C18H21N7O3 — CID 166822660

IUPACN-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCc1cn2ccc(CNC(=O)CC3CCC3)nc2n1
InChIInChI=1S/C18H21N7O3/c1-11-16(24-28-23-11)17(27)20-9-14-10-25-6-5-13(21-18(25)22-14)8-19-15(26)7-12-3-2-4-12/h5-6,10,12H,2-4,7-9H2,1H3,(H,19,26)(H,20,27)
InChIKeyUWGYMCRXKWEZKE-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.16
Rot. Bonds7

About N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 166822660) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound NameN-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
PubChem CID166822660
Molecular FormulaC18H21N7O3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC NameN-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
SMILESCc1nonc1C(=O)NCc1cn2ccc(CNC(=O)CC3CCC3)nc2n1
InChIInChI=1S/C18H21N7O3/c1-11-16(24-28-23-11)17(27)20-9-14-10-25-6-5-13(21-18(25)22-14)8-19-15(26)7-12-3-2-4-12/h5-6,10,12H,2-4,7-9H2,1H3,(H,19,26)(H,20,27)
InChIKeyUWGYMCRXKWEZKE-UHFFFAOYSA-N
XLogP1.16
TPSA127.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 166822660) is N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)NCc1cn2ccc(CNC(=O)CC3CCC3)nc2n1.
What is the InChIKey of N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is UWGYMCRXKWEZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-11-16(24-28-23-11)17(27)20-9-14-10-25-6-5-13(21-18(25)22-14)8-19-15(26)7-12-3-2-4-12/h5-6,10,12H,2-4,7-9H2,1H3,(H,19,26)(H,20,27).
What are the key properties of N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?
N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 383.41 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[[(2-cyclobutylacetyl)amino]methyl]imidazo[1,2-a]pyrimidin-2-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 166822660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).